(1S)-N-dibutylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine

C32H40NP — CID 72701656

IUPAC(1S)-N-dibutylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine
SMILESCCCCP(CCCC)N([C@@H](C)c1ccc2ccccc2c1)[C@@H](C)c1ccc2ccccc2c1
InChIInChI=1S/C32H40NP/c1-5-7-21-34(22-8-6-2)33(25(3)29-19-17-27-13-9-11-15-31(27)23-29)26(4)30-20-18-28-14-10-12-16-32(28)24-30/h9-20,23-26H,5-8,21-22H2,1-4H3/t25-,26-/m0/s1
InChIKeyNYIIDKSRLJUMFS-UIOOFZCWSA-N
MW469.65 g/mol
LogP10.11
Rot. Bonds11

About (1S)-N-dibutylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine

(1S)-N-dibutylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine (PubChem CID 72701656) has the molecular formula C32H40NP and a molecular weight of 469.65 g/mol. Its IUPAC name is (1S)-N-dibutylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine.

Molecular Properties

Compound Name(1S)-N-dibutylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine
PubChem CID72701656
Molecular FormulaC32H40NP
Molecular Weight469.65 g/mol
Exact Mass469.29
IUPAC Name(1S)-N-dibutylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine
SMILESCCCCP(CCCC)N([C@@H](C)c1ccc2ccccc2c1)[C@@H](C)c1ccc2ccccc2c1
InChIInChI=1S/C32H40NP/c1-5-7-21-34(22-8-6-2)33(25(3)29-19-17-27-13-9-11-15-31(27)23-29)26(4)30-20-18-28-14-10-12-16-32(28)24-30/h9-20,23-26H,5-8,21-22H2,1-4H3/t25-,26-/m0/s1
InChIKeyNYIIDKSRLJUMFS-UIOOFZCWSA-N
XLogP10.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.65
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 2484
Naftifine
CID 47641
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Naftifine Hydrochloride
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N-(1-naphthylmethyl)-N-(2-naphthylmethyl)amine
CID 2817655
N-methyl(1-naphthyl)-N-(1-naphthylmethyl)methanamine
CID 223156
N-methyl-N-(1-naphthalenylmethyl)-3-phenyl-2-propen-1-amine
CID 73342
(Z)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine
CID 6604425
9,10-Bis[N-[2-(dimethylamino)ethyl]methylaminomethyl]anthracene
CID 990837
N'-[4-(anthracen-9-ylmethylamino)butyl]-N-methylbutane-1,4-diamine
CID 24854518
N-benzyl-N-methyl-3-(naphthalen-2-yl)butan-1-amine
CID 44422354
N'-[4-[4-(pyren-1-ylmethylamino)butylamino]butyl]butane-1,4-diamine
CID 24854514

Frequently Asked Questions

What is the IUPAC name of (1S)-N-dibutylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine?
The IUPAC name of (1S)-N-dibutylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine (CID 72701656) is (1S)-N-dibutylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine.
What is the SMILES notation for (1S)-N-dibutylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine?
The canonical SMILES for (1S)-N-dibutylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine is CCCCP(CCCC)N([C@@H](C)c1ccc2ccccc2c1)[C@@H](C)c1ccc2ccccc2c1.
What is the InChIKey of (1S)-N-dibutylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine?
The InChIKey is NYIIDKSRLJUMFS-UIOOFZCWSA-N. The full InChI is InChI=1S/C32H40NP/c1-5-7-21-34(22-8-6-2)33(25(3)29-19-17-27-13-9-11-15-31(27)23-29)26(4)30-20-18-28-14-10-12-16-32(28)24-30/h9-20,23-26H,5-8,21-22H2,1-4H3/t25-,26-/m0/s1.
What are the key properties of (1S)-N-dibutylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine?
(1S)-N-dibutylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine has a molecular weight of 469.65 g/mol, XLogP of 10.11, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-dibutylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine is sourced from PubChem (CID 72701656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).