N'-(4-methylpentyl)-N'-phenylpropane-1,3-diamine

C15H26N2 — CID 83157179

IUPACN'-(4-methylpentyl)-N'-phenylpropane-1,3-diamine
SMILESCC(C)CCCN(CCCN)c1ccccc1
InChIInChI=1S/C15H26N2/c1-14(2)8-6-12-17(13-7-11-16)15-9-4-3-5-10-15/h3-5,9-10,14H,6-8,11-13,16H2,1-2H3
InChIKeyMTHHELWUWIMAAE-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.28
Rot. Bonds8

About N'-(4-methylpentyl)-N'-phenylpropane-1,3-diamine

N'-(4-methylpentyl)-N'-phenylpropane-1,3-diamine (PubChem CID 83157179) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N'-(4-methylpentyl)-N'-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-methylpentyl)-N'-phenylpropane-1,3-diamine
PubChem CID83157179
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN'-(4-methylpentyl)-N'-phenylpropane-1,3-diamine
SMILESCC(C)CCCN(CCCN)c1ccccc1
InChIInChI=1S/C15H26N2/c1-14(2)8-6-12-17(13-7-11-16)15-9-4-3-5-10-15/h3-5,9-10,14H,6-8,11-13,16H2,1-2H3
InChIKeyMTHHELWUWIMAAE-UHFFFAOYSA-N
XLogP3.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[N-(3-aminopropyl)anilino]propan-2-ol
CID 65277240
2-[N-(4-methylpentyl)anilino]acetic acid
CID 83158703
N'-phenyl-N'-(4-phenylbutyl)propane-1,3-diamine
CID 114333029
6-[N-(3-aminopropyl)anilino]hexan-1-ol
CID 107702923
4-[N-(3-aminopropyl)anilino]-2-methylbutan-2-ol
CID 79359729
3-[N-(3-aminopropyl)anilino]propanoic acid
CID 63654243
N'-pentan-2-yl-N'-phenylpropane-1,3-diamine
CID 107895596
N'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N'-phenylpropane-1,3-diamine
CID 104561042
N,N-bis(2-methylpropyl)aniline
CID 5169898
N-ethyl-N-(3,7,11,15-tetramethylhexadecyl)aniline
CID 59671995
benzene;5-methylhexan-1-amine
CID 174722076
1-N-butyl-1-N-phenylpropane-1,2-diamine
CID 64584797

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylpentyl)-N'-phenylpropane-1,3-diamine?
The IUPAC name of N'-(4-methylpentyl)-N'-phenylpropane-1,3-diamine (CID 83157179) is N'-(4-methylpentyl)-N'-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-(4-methylpentyl)-N'-phenylpropane-1,3-diamine?
The canonical SMILES for N'-(4-methylpentyl)-N'-phenylpropane-1,3-diamine is CC(C)CCCN(CCCN)c1ccccc1.
What is the InChIKey of N'-(4-methylpentyl)-N'-phenylpropane-1,3-diamine?
The InChIKey is MTHHELWUWIMAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-14(2)8-6-12-17(13-7-11-16)15-9-4-3-5-10-15/h3-5,9-10,14H,6-8,11-13,16H2,1-2H3.
What are the key properties of N'-(4-methylpentyl)-N'-phenylpropane-1,3-diamine?
N'-(4-methylpentyl)-N'-phenylpropane-1,3-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylpentyl)-N'-phenylpropane-1,3-diamine is sourced from PubChem (CID 83157179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).