N,N'-bis[(1R)-1-phenyl-2-pyridin-2-ylethyl]propane-1,3-diamine

C29H32N4 — CID 102584855

IUPACN,N'-bis[(1R)-1-phenyl-2-pyridin-2-ylethyl]propane-1,3-diamine
SMILESc1ccc([C@@H](Cc2ccccn2)NCCCN[C@H](Cc2ccccn2)c2ccccc2)cc1
InChIInChI=1S/C29H32N4/c1-3-12-24(13-4-1)28(22-26-16-7-9-18-30-26)32-20-11-21-33-29(25-14-5-2-6-15-25)23-27-17-8-10-19-31-27/h1-10,12-19,28-29,32-33H,11,20-23H2/t28-,29-/m1/s1
InChIKeyDGTOORDRVOLFOR-FQLXRVMXSA-N
MW436.60 g/mol
LogP5.31
Rot. Bonds12

About N,N'-bis[(1R)-1-phenyl-2-pyridin-2-ylethyl]propane-1,3-diamine

N,N'-bis[(1R)-1-phenyl-2-pyridin-2-ylethyl]propane-1,3-diamine (PubChem CID 102584855) has the molecular formula C29H32N4 and a molecular weight of 436.60 g/mol. Its IUPAC name is N,N'-bis[(1R)-1-phenyl-2-pyridin-2-ylethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-bis[(1R)-1-phenyl-2-pyridin-2-ylethyl]propane-1,3-diamine
PubChem CID102584855
Molecular FormulaC29H32N4
Molecular Weight436.60 g/mol
Exact Mass436.26
IUPAC NameN,N'-bis[(1R)-1-phenyl-2-pyridin-2-ylethyl]propane-1,3-diamine
SMILESc1ccc([C@@H](Cc2ccccn2)NCCCN[C@H](Cc2ccccn2)c2ccccc2)cc1
InChIInChI=1S/C29H32N4/c1-3-12-24(13-4-1)28(22-26-16-7-9-18-30-26)32-20-11-21-33-29(25-14-5-2-6-15-25)23-27-17-8-10-19-31-27/h1-10,12-19,28-29,32-33H,11,20-23H2/t28-,29-/m1/s1
InChIKeyDGTOORDRVOLFOR-FQLXRVMXSA-N
XLogP5.31
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S)-N-ethyl-1-phenyl-2-pyridin-2-ylethanamine
CID 129365604
N-(1-phenyl-2-pyridin-2-ylethyl)formamide
CID 57000523
(1-phenyl-2-pyridin-2-ylethyl)carbamic acid
CID 134541861
1-phenyl-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105083650
N-[1-(3,4-dimethylphenyl)-2-pyridin-2-ylethyl]propan-1-amine
CID 62550641
(1S)-N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-1-phenyl-2-pyridin-2-ylethanamine
CID 100687819
N-(1-phenyl-2-pyrimidin-2-ylethyl)propan-1-amine
CID 55163177
N-ethyl-2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62790871
N,N,4-trimethyl-6-[[(1-phenyl-2-pyridin-2-ylethyl)amino]methyl]pyrimidin-2-amine
CID 119046108
N-[1-(4-chloro-3-fluorophenyl)-2-pyridin-2-ylethyl]propan-1-amine
CID 107989076
N'-hydroxy-3-phenyl-3-(2-pyridin-2-ylethylamino)propanimidamide
CID 77025730
N-[2-(5-fluoro-2-pyridinyl)-1-phenylethyl]propan-1-amine
CID 55163375

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(1R)-1-phenyl-2-pyridin-2-ylethyl]propane-1,3-diamine?
The IUPAC name of N,N'-bis[(1R)-1-phenyl-2-pyridin-2-ylethyl]propane-1,3-diamine (CID 102584855) is N,N'-bis[(1R)-1-phenyl-2-pyridin-2-ylethyl]propane-1,3-diamine.
What is the SMILES notation for N,N'-bis[(1R)-1-phenyl-2-pyridin-2-ylethyl]propane-1,3-diamine?
The canonical SMILES for N,N'-bis[(1R)-1-phenyl-2-pyridin-2-ylethyl]propane-1,3-diamine is c1ccc([C@@H](Cc2ccccn2)NCCCN[C@H](Cc2ccccn2)c2ccccc2)cc1.
What is the InChIKey of N,N'-bis[(1R)-1-phenyl-2-pyridin-2-ylethyl]propane-1,3-diamine?
The InChIKey is DGTOORDRVOLFOR-FQLXRVMXSA-N. The full InChI is InChI=1S/C29H32N4/c1-3-12-24(13-4-1)28(22-26-16-7-9-18-30-26)32-20-11-21-33-29(25-14-5-2-6-15-25)23-27-17-8-10-19-31-27/h1-10,12-19,28-29,32-33H,11,20-23H2/t28-,29-/m1/s1.
What are the key properties of N,N'-bis[(1R)-1-phenyl-2-pyridin-2-ylethyl]propane-1,3-diamine?
N,N'-bis[(1R)-1-phenyl-2-pyridin-2-ylethyl]propane-1,3-diamine has a molecular weight of 436.60 g/mol, XLogP of 5.31, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(1R)-1-phenyl-2-pyridin-2-ylethyl]propane-1,3-diamine is sourced from PubChem (CID 102584855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).