N'-(7-methyloctyl)-1-phenylpropane-1,3-diamine

C18H32N2 — CID 107815640

IUPACN'-(7-methyloctyl)-1-phenylpropane-1,3-diamine
SMILESCC(C)CCCCCCNCCC(N)c1ccccc1
InChIInChI=1S/C18H32N2/c1-16(2)10-6-3-4-9-14-20-15-13-18(19)17-11-7-5-8-12-17/h5,7-8,11-12,16,18,20H,3-4,6,9-10,13-15,19H2,1-2H3
InChIKeyNEFZYPHQIUVXLD-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.27
Rot. Bonds11

About N'-(7-methyloctyl)-1-phenylpropane-1,3-diamine

N'-(7-methyloctyl)-1-phenylpropane-1,3-diamine (PubChem CID 107815640) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N'-(7-methyloctyl)-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(7-methyloctyl)-1-phenylpropane-1,3-diamine
PubChem CID107815640
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN'-(7-methyloctyl)-1-phenylpropane-1,3-diamine
SMILESCC(C)CCCCCCNCCC(N)c1ccccc1
InChIInChI=1S/C18H32N2/c1-16(2)10-6-3-4-9-14-20-15-13-18(19)17-11-7-5-8-12-17/h5,7-8,11-12,16,18,20H,3-4,6,9-10,13-15,19H2,1-2H3
InChIKeyNEFZYPHQIUVXLD-UHFFFAOYSA-N
XLogP4.27
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.27
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

7-methyl-N-(2-phenylpropyl)octan-1-amine
CID 43081304
(1S)-4-methyl-1-phenylpentan-1-amine
CID 28780030
7-methyl-N-(3-phenoxypropyl)octan-1-amine
CID 103604921
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
(2S)-2-amino-N-(7-methyloctyl)-2-phenylacetamide
CID 104897653
N'-(2-methoxypropyl)-1-phenylpropane-1,3-diamine
CID 102698624
N-(3-phenylbutyl)hexan-1-amine
CID 63420973
N'-dodecyl-1-(4-fluorophenyl)propane-1,3-diamine
CID 10088401
1-phenyl-N'-(5,5,5-trifluoropentyl)butane-1,4-diamine
CID 115520442
1-phenyldecan-1-amine
CID 43175860
N-(3,3-diphenylpropyl)octadecan-1-amine
CID 57060547

Frequently Asked Questions

What is the IUPAC name of N'-(7-methyloctyl)-1-phenylpropane-1,3-diamine?
The IUPAC name of N'-(7-methyloctyl)-1-phenylpropane-1,3-diamine (CID 107815640) is N'-(7-methyloctyl)-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-(7-methyloctyl)-1-phenylpropane-1,3-diamine?
The canonical SMILES for N'-(7-methyloctyl)-1-phenylpropane-1,3-diamine is CC(C)CCCCCCNCCC(N)c1ccccc1.
What is the InChIKey of N'-(7-methyloctyl)-1-phenylpropane-1,3-diamine?
The InChIKey is NEFZYPHQIUVXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-16(2)10-6-3-4-9-14-20-15-13-18(19)17-11-7-5-8-12-17/h5,7-8,11-12,16,18,20H,3-4,6,9-10,13-15,19H2,1-2H3.
What are the key properties of N'-(7-methyloctyl)-1-phenylpropane-1,3-diamine?
N'-(7-methyloctyl)-1-phenylpropane-1,3-diamine has a molecular weight of 276.47 g/mol, XLogP of 4.27, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-methyloctyl)-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 107815640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).