N'-methyl-N'-(4-methylpentyl)propane-1,3-diamine

C10H24N2 — CID 59817423

IUPACN'-methyl-N'-(4-methylpentyl)propane-1,3-diamine
SMILESCC(C)CCCN(C)CCCN
InChIInChI=1S/C10H24N2/c1-10(2)6-4-8-12(3)9-5-7-11/h10H,4-9,11H2,1-3H3
InChIKeyLPJOROUCWXKJJR-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.70
Rot. Bonds7

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

N'-methyl-N'-(4-methylpentyl)propane-1,3-diamine (PubChem CID 59817423) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is N'-methyl-N'-(4-methylpentyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(4-methylpentyl)propane-1,3-diamine
PubChem CID59817423
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC NameN'-methyl-N'-(4-methylpentyl)propane-1,3-diamine
SMILESCC(C)CCCN(C)CCCN
InChIInChI=1S/C10H24N2/c1-10(2)6-4-8-12(3)9-5-7-11/h10H,4-9,11H2,1-3H3
InChIKeyLPJOROUCWXKJJR-UHFFFAOYSA-N
XLogP1.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(2-methylpropane)
CID 145273852
N'-methyl-N'-(3-methylbutyl)butane-1,4-diamine
CID 61425657
1-N-methyl-1-N-(4-methylpentyl)butane-1,3-diamine
CID 90943925
N'-(4-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 83155603
N-butyl-N,4-dimethylpentan-1-amine
CID 88539043
N'-(3-aminopropyl)-N'-methylbutane-1,4-diamine
CID 13307740
N-(2-chloroethyl)-N,4-dimethylpentan-1-amine
CID 83168960
N,N'-dimethyl-N'-(4-methylpentyl)butane-1,4-diamine
CID 115202176
N-(3-fluoropropyl)-N,3-dimethylbutan-1-amine
CID 142351395
1-N,2-dimethyl-1-N-(4-methylpentyl)propane-1,2-diamine
CID 115136225
3-[methyl(4-methylpentyl)amino]propanenitrile
CID 83156286
3-N,3-dimethyl-3-N-(4-methylpentyl)butane-1,3-diamine
CID 115134994

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(4-methylpentyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-(4-methylpentyl)propane-1,3-diamine (CID 59817423) is N'-methyl-N'-(4-methylpentyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-(4-methylpentyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-(4-methylpentyl)propane-1,3-diamine is CC(C)CCCN(C)CCCN.
What is the InChIKey of N'-methyl-N'-(4-methylpentyl)propane-1,3-diamine?
The InChIKey is LPJOROUCWXKJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-10(2)6-4-8-12(3)9-5-7-11/h10H,4-9,11H2,1-3H3.
What are the key properties of N'-methyl-N'-(4-methylpentyl)propane-1,3-diamine?
N'-methyl-N'-(4-methylpentyl)propane-1,3-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(4-methylpentyl)propane-1,3-diamine is sourced from PubChem (CID 59817423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).