(2S)-N-[(2S)-1-amino-3-naphthalen-1-ylpropan-2-yl]-N'-methyl-2-(3-naphthalen-1-ylpropyl)pentane-1,5-diamine

C32H41N3 — CID 159924619

IUPAC(2S)-N-[(2S)-1-amino-3-naphthalen-1-ylpropan-2-yl]-N'-methyl-2-(3-naphthalen-1-ylpropyl)pentane-1,5-diamine
SMILESCNCCCC(CCCc1cccc2ccccc12)CN[C@H](CN)Cc1cccc2ccccc12
InChIInChI=1S/C32H41N3/c1-34-21-9-11-25(10-6-14-28-16-7-15-26-12-2-4-19-31(26)28)24-35-30(23-33)22-29-18-8-17-27-13-3-5-20-32(27)29/h2-5,7-8,12-13,15-20,25,30,34-35H,6,9-11,14,21-24,33H2,1H3/t25?,30-/m0/s1
InChIKeyNYVQNVIKSMTDSQ-QNGSWNHHSA-N
MW467.70 g/mol
LogP6.09
Rot. Bonds14

About (2S)-N-[(2S)-1-amino-3-naphthalen-1-ylpropan-2-yl]-N'-methyl-2-(3-naphthalen-1-ylpropyl)pentane-1,5-diamine

(2S)-N-[(2S)-1-amino-3-naphthalen-1-ylpropan-2-yl]-N'-methyl-2-(3-naphthalen-1-ylpropyl)pentane-1,5-diamine (PubChem CID 159924619) has the molecular formula C32H41N3 and a molecular weight of 467.70 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-amino-3-naphthalen-1-ylpropan-2-yl]-N'-methyl-2-(3-naphthalen-1-ylpropyl)pentane-1,5-diamine.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-amino-3-naphthalen-1-ylpropan-2-yl]-N'-methyl-2-(3-naphthalen-1-ylpropyl)pentane-1,5-diamine
PubChem CID159924619
Molecular FormulaC32H41N3
Molecular Weight467.70 g/mol
Exact Mass467.33
IUPAC Name(2S)-N-[(2S)-1-amino-3-naphthalen-1-ylpropan-2-yl]-N'-methyl-2-(3-naphthalen-1-ylpropyl)pentane-1,5-diamine
SMILESCNCCCC(CCCc1cccc2ccccc12)CN[C@H](CN)Cc1cccc2ccccc12
InChIInChI=1S/C32H41N3/c1-34-21-9-11-25(10-6-14-28-16-7-15-26-12-2-4-19-31(26)28)24-35-30(23-33)22-29-18-8-17-27-13-3-5-20-32(27)29/h2-5,7-8,12-13,15-20,25,30,34-35H,6,9-11,14,21-24,33H2,1H3/t25?,30-/m0/s1
InChIKeyNYVQNVIKSMTDSQ-QNGSWNHHSA-N
XLogP6.09
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.70
LogP ≤ 56.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-N-[(2S)-1-amino-3-naphthalen-1-ylpropan-2-yl]-N'-methyl-2-(3-naphthalen-1-ylpropyl)pentane-1,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-naphthalen-1-yl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine
CID 57250877
2-N-[(4-chlorophenyl)methyl]-3-naphthalen-1-ylpropane-1,2-diamine
CID 57137321
N,2-dimethyl-3-naphthalen-1-ylpropan-1-amine
CID 62528877
(2R)-2-methyl-3-naphthalen-1-ylpropan-1-amine
CID 37134613
1-N-(2-naphthalen-1-ylethyl)pentane-1,4-diamine
CID 115204071
acetaldehyde;N-methyl-2-naphthalen-1-ylethanamine
CID 142942330
N-methyl-N'-(naphthalen-1-ylmethyl)propane-1,3-diamine
CID 4720020
(5-methyl-1-naphthalen-1-ylhexan-2-yl)hydrazine
CID 105207634
2-(naphthalen-1-ylmethyl)-N-propan-2-ylbutan-1-amine
CID 62531157
2-methyl-N-(2-naphthalen-1-ylethyl)butane-1,4-diamine
CID 115202803
N-ethyl-1-naphthalen-1-ylhept-6-yn-2-amine
CID 105179696
N,3-dimethyl-2-(naphthalen-1-ylmethyl)butan-1-amine
CID 62528945

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-amino-3-naphthalen-1-ylpropan-2-yl]-N'-methyl-2-(3-naphthalen-1-ylpropyl)pentane-1,5-diamine?
The IUPAC name of (2S)-N-[(2S)-1-amino-3-naphthalen-1-ylpropan-2-yl]-N'-methyl-2-(3-naphthalen-1-ylpropyl)pentane-1,5-diamine (CID 159924619) is (2S)-N-[(2S)-1-amino-3-naphthalen-1-ylpropan-2-yl]-N'-methyl-2-(3-naphthalen-1-ylpropyl)pentane-1,5-diamine.
What is the SMILES notation for (2S)-N-[(2S)-1-amino-3-naphthalen-1-ylpropan-2-yl]-N'-methyl-2-(3-naphthalen-1-ylpropyl)pentane-1,5-diamine?
The canonical SMILES for (2S)-N-[(2S)-1-amino-3-naphthalen-1-ylpropan-2-yl]-N'-methyl-2-(3-naphthalen-1-ylpropyl)pentane-1,5-diamine is CNCCCC(CCCc1cccc2ccccc12)CN[C@H](CN)Cc1cccc2ccccc12.
What is the InChIKey of (2S)-N-[(2S)-1-amino-3-naphthalen-1-ylpropan-2-yl]-N'-methyl-2-(3-naphthalen-1-ylpropyl)pentane-1,5-diamine?
The InChIKey is NYVQNVIKSMTDSQ-QNGSWNHHSA-N. The full InChI is InChI=1S/C32H41N3/c1-34-21-9-11-25(10-6-14-28-16-7-15-26-12-2-4-19-31(26)28)24-35-30(23-33)22-29-18-8-17-27-13-3-5-20-32(27)29/h2-5,7-8,12-13,15-20,25,30,34-35H,6,9-11,14,21-24,33H2,1H3/t25?,30-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-amino-3-naphthalen-1-ylpropan-2-yl]-N'-methyl-2-(3-naphthalen-1-ylpropyl)pentane-1,5-diamine?
(2S)-N-[(2S)-1-amino-3-naphthalen-1-ylpropan-2-yl]-N'-methyl-2-(3-naphthalen-1-ylpropyl)pentane-1,5-diamine has a molecular weight of 467.70 g/mol, XLogP of 6.09, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-amino-3-naphthalen-1-ylpropan-2-yl]-N'-methyl-2-(3-naphthalen-1-ylpropyl)pentane-1,5-diamine is sourced from PubChem (CID 159924619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).