N-methyl-2-phenyl-N'-(3-phenylpropyl)pentane-1,5-diamine

C21H30N2 — CID 70494547

IUPACN-methyl-2-phenyl-N'-(3-phenylpropyl)pentane-1,5-diamine
SMILESCNCC(CCCNCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H30N2/c1-22-18-21(20-13-6-3-7-14-20)15-9-17-23-16-8-12-19-10-4-2-5-11-19/h2-7,10-11,13-14,21-23H,8-9,12,15-18H2,1H3
InChIKeyRJHDBWRKSRSQGS-UHFFFAOYSA-N
MW310.49 g/mol
LogP3.99
Rot. Bonds11

About N-methyl-2-phenyl-N'-(3-phenylpropyl)pentane-1,5-diamine

N-methyl-2-phenyl-N'-(3-phenylpropyl)pentane-1,5-diamine (PubChem CID 70494547) has the molecular formula C21H30N2 and a molecular weight of 310.49 g/mol. Its IUPAC name is N-methyl-2-phenyl-N'-(3-phenylpropyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN-methyl-2-phenyl-N'-(3-phenylpropyl)pentane-1,5-diamine
PubChem CID70494547
Molecular FormulaC21H30N2
Molecular Weight310.49 g/mol
Exact Mass310.24
IUPAC NameN-methyl-2-phenyl-N'-(3-phenylpropyl)pentane-1,5-diamine
SMILESCNCC(CCCNCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H30N2/c1-22-18-21(20-13-6-3-7-14-20)15-9-17-23-16-8-12-19-10-4-2-5-11-19/h2-7,10-11,13-14,21-23H,8-9,12,15-18H2,1H3
InChIKeyRJHDBWRKSRSQGS-UHFFFAOYSA-N
XLogP3.99
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2,4-diphenylbutan-1-amine
CID 81024071
5-methoxy-N-methyl-2-phenylpentan-1-amine
CID 65430583
4-phenyl-N-(2-phenylethyl)pentan-1-amine
CID 57323485
2-phenyl-N-(3-phenylpropyl)propan-1-amine;hydrochloride
CID 13011907
2-methyl-5-(3-phenylpropylamino)pentan-1-ol
CID 114151635
4-(3-chlorophenyl)-N-methyl-2-phenylbutan-1-amine
CID 81023908
N-methyl-2-phenyl-5-thiophen-2-ylpentan-1-amine
CID 81023830
3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294
2-chloro-N-(3-phenylpropyl)propan-1-amine
CID 65024000
3-phenyl-N-propylpropan-1-amine;hydrochloride
CID 75357720
N-(3-benzhydrylsulfanylpropyl)-3-phenylpropan-1-amine
CID 86174014
N-(3-benzhydryloxypropyl)-3-phenylpropan-1-amine
CID 86174020

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-N'-(3-phenylpropyl)pentane-1,5-diamine?
The IUPAC name of N-methyl-2-phenyl-N'-(3-phenylpropyl)pentane-1,5-diamine (CID 70494547) is N-methyl-2-phenyl-N'-(3-phenylpropyl)pentane-1,5-diamine.
What is the SMILES notation for N-methyl-2-phenyl-N'-(3-phenylpropyl)pentane-1,5-diamine?
The canonical SMILES for N-methyl-2-phenyl-N'-(3-phenylpropyl)pentane-1,5-diamine is CNCC(CCCNCCCc1ccccc1)c1ccccc1.
What is the InChIKey of N-methyl-2-phenyl-N'-(3-phenylpropyl)pentane-1,5-diamine?
The InChIKey is RJHDBWRKSRSQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2/c1-22-18-21(20-13-6-3-7-14-20)15-9-17-23-16-8-12-19-10-4-2-5-11-19/h2-7,10-11,13-14,21-23H,8-9,12,15-18H2,1H3.
What are the key properties of N-methyl-2-phenyl-N'-(3-phenylpropyl)pentane-1,5-diamine?
N-methyl-2-phenyl-N'-(3-phenylpropyl)pentane-1,5-diamine has a molecular weight of 310.49 g/mol, XLogP of 3.99, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-N'-(3-phenylpropyl)pentane-1,5-diamine is sourced from PubChem (CID 70494547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).