N-[[(2R,5R)-2,5-diphenylphospholan-1-yl]methyl]-N-[[(2S,5S)-2,5-diphenylphospholan-1-yl]methyl]-1-pyridin-2-ylmethanamine

C40H42N2P2 — CID 164686012

IUPACN-[[(2R,5R)-2,5-diphenylphospholan-1-yl]methyl]-N-[[(2S,5S)-2,5-diphenylphospholan-1-yl]methyl]-1-pyridin-2-ylmethanamine
SMILESc1ccc([C@H]2CC[C@H](c3ccccc3)P2CN(Cc2ccccn2)CP2[C@H](c3ccccc3)CC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C40H42N2P2/c1-5-15-32(16-6-1)37-24-25-38(33-17-7-2-8-18-33)43(37)30-42(29-36-23-13-14-28-41-36)31-44-39(34-19-9-3-10-20-34)26-27-40(44)35-21-11-4-12-22-35/h1-23,28,37-40H,24-27,29-31H2/t37-,38-,39+,40+
InChIKeyVFPPQPWHLRCYMV-HRGSHGMJSA-N
MW612.74 g/mol
LogP11.32
Rot. Bonds10

About N-[[(2R,5R)-2,5-diphenylphospholan-1-yl]methyl]-N-[[(2S,5S)-2,5-diphenylphospholan-1-yl]methyl]-1-pyridin-2-ylmethanamine

N-[[(2R,5R)-2,5-diphenylphospholan-1-yl]methyl]-N-[[(2S,5S)-2,5-diphenylphospholan-1-yl]methyl]-1-pyridin-2-ylmethanamine (PubChem CID 164686012) has the molecular formula C40H42N2P2 and a molecular weight of 612.74 g/mol. Its IUPAC name is N-[[(2R,5R)-2,5-diphenylphospholan-1-yl]methyl]-N-[[(2S,5S)-2,5-diphenylphospholan-1-yl]methyl]-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN-[[(2R,5R)-2,5-diphenylphospholan-1-yl]methyl]-N-[[(2S,5S)-2,5-diphenylphospholan-1-yl]methyl]-1-pyridin-2-ylmethanamine
PubChem CID164686012
Molecular FormulaC40H42N2P2
Molecular Weight612.74 g/mol
Exact Mass612.28
IUPAC NameN-[[(2R,5R)-2,5-diphenylphospholan-1-yl]methyl]-N-[[(2S,5S)-2,5-diphenylphospholan-1-yl]methyl]-1-pyridin-2-ylmethanamine
SMILESc1ccc([C@H]2CC[C@H](c3ccccc3)P2CN(Cc2ccccn2)CP2[C@H](c3ccccc3)CC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C40H42N2P2/c1-5-15-32(16-6-1)37-24-25-38(33-17-7-2-8-18-33)43(37)30-42(29-36-23-13-14-28-41-36)31-44-39(34-19-9-3-10-20-34)26-27-40(44)35-21-11-4-12-22-35/h1-23,28,37-40H,24-27,29-31H2/t37-,38-,39+,40+
InChIKeyVFPPQPWHLRCYMV-HRGSHGMJSA-N
XLogP11.32
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.74
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
N-[[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-2,4,6-triethylphenyl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 15846287
N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 102272513
N-[[3,5-bis[[benzyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine
CID 101191424
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
bis(manganese(3+));bis(oxygen(2-));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);bis(tetraphenylboranuide)
CID 139036841
copper;bis(N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine);hydrogen peroxide
CID 58058036
2-[[bis(pyridin-2-ylmethyl)amino]methyl]aniline
CID 69057347
N-benzyl-N,N',N'-tris(pyridin-2-ylmethyl)propane-1,3-diamine
CID 101205113
N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 144767444
N'-[2-[2-aminoethyl(pyridin-2-ylmethyl)amino]ethyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 141183733

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,5R)-2,5-diphenylphospholan-1-yl]methyl]-N-[[(2S,5S)-2,5-diphenylphospholan-1-yl]methyl]-1-pyridin-2-ylmethanamine?
The IUPAC name of N-[[(2R,5R)-2,5-diphenylphospholan-1-yl]methyl]-N-[[(2S,5S)-2,5-diphenylphospholan-1-yl]methyl]-1-pyridin-2-ylmethanamine (CID 164686012) is N-[[(2R,5R)-2,5-diphenylphospholan-1-yl]methyl]-N-[[(2S,5S)-2,5-diphenylphospholan-1-yl]methyl]-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N-[[(2R,5R)-2,5-diphenylphospholan-1-yl]methyl]-N-[[(2S,5S)-2,5-diphenylphospholan-1-yl]methyl]-1-pyridin-2-ylmethanamine?
The canonical SMILES for N-[[(2R,5R)-2,5-diphenylphospholan-1-yl]methyl]-N-[[(2S,5S)-2,5-diphenylphospholan-1-yl]methyl]-1-pyridin-2-ylmethanamine is c1ccc([C@H]2CC[C@H](c3ccccc3)P2CN(Cc2ccccn2)CP2[C@H](c3ccccc3)CC[C@H]2c2ccccc2)cc1.
What is the InChIKey of N-[[(2R,5R)-2,5-diphenylphospholan-1-yl]methyl]-N-[[(2S,5S)-2,5-diphenylphospholan-1-yl]methyl]-1-pyridin-2-ylmethanamine?
The InChIKey is VFPPQPWHLRCYMV-HRGSHGMJSA-N. The full InChI is InChI=1S/C40H42N2P2/c1-5-15-32(16-6-1)37-24-25-38(33-17-7-2-8-18-33)43(37)30-42(29-36-23-13-14-28-41-36)31-44-39(34-19-9-3-10-20-34)26-27-40(44)35-21-11-4-12-22-35/h1-23,28,37-40H,24-27,29-31H2/t37-,38-,39+,40+.
What are the key properties of N-[[(2R,5R)-2,5-diphenylphospholan-1-yl]methyl]-N-[[(2S,5S)-2,5-diphenylphospholan-1-yl]methyl]-1-pyridin-2-ylmethanamine?
N-[[(2R,5R)-2,5-diphenylphospholan-1-yl]methyl]-N-[[(2S,5S)-2,5-diphenylphospholan-1-yl]methyl]-1-pyridin-2-ylmethanamine has a molecular weight of 612.74 g/mol, XLogP of 11.32, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,5R)-2,5-diphenylphospholan-1-yl]methyl]-N-[[(2S,5S)-2,5-diphenylphospholan-1-yl]methyl]-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 164686012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).