(4R,8S)-8-benzyl-4-N-(2-phenylethyl)nonane-1,4,9-triamine

C24H37N3 — CID 135143739

IUPAC(4R,8S)-8-benzyl-4-N-(2-phenylethyl)nonane-1,4,9-triamine
SMILESNCCC[C@@H](CCCC(CN)Cc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C24H37N3/c25-17-8-15-24(27-18-16-21-9-3-1-4-10-21)14-7-13-23(20-26)19-22-11-5-2-6-12-22/h1-6,9-12,23-24,27H,7-8,13-20,25-26H2/t23?,24-/m1/s1
InChIKeyJKZOVBYDVZSJFU-XMMISQBUSA-N
MW367.58 g/mol
LogP3.91
Rot. Bonds14

About (4R,8S)-8-benzyl-4-N-(2-phenylethyl)nonane-1,4,9-triamine

(4R,8S)-8-benzyl-4-N-(2-phenylethyl)nonane-1,4,9-triamine (PubChem CID 135143739) has the molecular formula C24H37N3 and a molecular weight of 367.58 g/mol. Its IUPAC name is (4R,8S)-8-benzyl-4-N-(2-phenylethyl)nonane-1,4,9-triamine.

Molecular Properties

Compound Name(4R,8S)-8-benzyl-4-N-(2-phenylethyl)nonane-1,4,9-triamine
PubChem CID135143739
Molecular FormulaC24H37N3
Molecular Weight367.58 g/mol
Exact Mass367.30
IUPAC Name(4R,8S)-8-benzyl-4-N-(2-phenylethyl)nonane-1,4,9-triamine
SMILESNCCC[C@@H](CCCC(CN)Cc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C24H37N3/c25-17-8-15-24(27-18-16-21-9-3-1-4-10-21)14-7-13-23(20-26)19-22-11-5-2-6-12-22/h1-6,9-12,23-24,27H,7-8,13-20,25-26H2/t23?,24-/m1/s1
InChIKeyJKZOVBYDVZSJFU-XMMISQBUSA-N
XLogP3.91
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.58
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11128217
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CID 75481010
(2S)-1-N-(1,5-diphenylpentan-3-yl)butane-1,2,4-triamine;(2S)-4-N-(1,5-diphenylpentan-3-yl)butane-1,2,4-triamine;(2S)-1-N-(1,5-diphenylpentan-3-yl)pentane-1,2,5-triamine;(2S)-5-N-(1,5-diphenylpentan-3-yl)pentane-1,2,5-triamine
CID 160786685
2-benzyl-6-methoxyhexan-1-amine
CID 104649139
16-phenyl-14-(2-phenylethyl)hexadecan-1-amine
CID 139723789
2-benzyl-5-ethoxypentan-1-amine
CID 65180415
3-[(1-amino-3-phenylpropan-2-yl)amino]propan-1-ol
CID 65378024
4-fluoro-5-phenylpentan-1-amine
CID 83855308
7-phenylheptane-1,4-diamine
CID 174860311
N'-[3-(2-phenylethylamino)propyl]propane-1,3-diamine
CID 57144095
6-phenylhexane-1,4-diamine
CID 23163544

Frequently Asked Questions

What is the IUPAC name of (4R,8S)-8-benzyl-4-N-(2-phenylethyl)nonane-1,4,9-triamine?
The IUPAC name of (4R,8S)-8-benzyl-4-N-(2-phenylethyl)nonane-1,4,9-triamine (CID 135143739) is (4R,8S)-8-benzyl-4-N-(2-phenylethyl)nonane-1,4,9-triamine.
What is the SMILES notation for (4R,8S)-8-benzyl-4-N-(2-phenylethyl)nonane-1,4,9-triamine?
The canonical SMILES for (4R,8S)-8-benzyl-4-N-(2-phenylethyl)nonane-1,4,9-triamine is NCCC[C@@H](CCCC(CN)Cc1ccccc1)NCCc1ccccc1.
What is the InChIKey of (4R,8S)-8-benzyl-4-N-(2-phenylethyl)nonane-1,4,9-triamine?
The InChIKey is JKZOVBYDVZSJFU-XMMISQBUSA-N. The full InChI is InChI=1S/C24H37N3/c25-17-8-15-24(27-18-16-21-9-3-1-4-10-21)14-7-13-23(20-26)19-22-11-5-2-6-12-22/h1-6,9-12,23-24,27H,7-8,13-20,25-26H2/t23?,24-/m1/s1.
What are the key properties of (4R,8S)-8-benzyl-4-N-(2-phenylethyl)nonane-1,4,9-triamine?
(4R,8S)-8-benzyl-4-N-(2-phenylethyl)nonane-1,4,9-triamine has a molecular weight of 367.58 g/mol, XLogP of 3.91, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,8S)-8-benzyl-4-N-(2-phenylethyl)nonane-1,4,9-triamine is sourced from PubChem (CID 135143739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).