1-N,2-dimethyl-1-N-(4-methylpentyl)propane-1,2-diamine

C11H26N2 — CID 115136225

IUPAC1-N,2-dimethyl-1-N-(4-methylpentyl)propane-1,2-diamine
SMILESCC(C)CCCN(C)CC(C)(C)N
InChIInChI=1S/C11H26N2/c1-10(2)7-6-8-13(5)9-11(3,4)12/h10H,6-9,12H2,1-5H3
InChIKeyXPSZOFVCTDONBW-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.09
Rot. Bonds6

About 1-N,2-dimethyl-1-N-(4-methylpentyl)propane-1,2-diamine

1-N,2-dimethyl-1-N-(4-methylpentyl)propane-1,2-diamine (PubChem CID 115136225) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 1-N,2-dimethyl-1-N-(4-methylpentyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-dimethyl-1-N-(4-methylpentyl)propane-1,2-diamine
PubChem CID115136225
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name1-N,2-dimethyl-1-N-(4-methylpentyl)propane-1,2-diamine
SMILESCC(C)CCCN(C)CC(C)(C)N
InChIInChI=1S/C11H26N2/c1-10(2)7-6-8-13(5)9-11(3,4)12/h10H,6-9,12H2,1-5H3
InChIKeyXPSZOFVCTDONBW-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethylpropyl)-N,4-dimethylpentan-1-amine
CID 90148563
N'-methyl-N'-(4-methylpentyl)propane-1,3-diamine
CID 59817423
1-N-methyl-1-N-(4-methylpentyl)butane-1,3-diamine
CID 90943925
1-N,2-dimethyl-1-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81055039
N-butyl-N,4-dimethylpentan-1-amine
CID 88539043
3-amino-N,3-dimethyl-N-(4-methylpentyl)butanamide
CID 115155075
N,2,2-trimethyl-N-[3-(5-methylhexoxy)propyl]propan-1-amine
CID 172516818
N,4-dimethyl-N-(2-methyl-2-piperazin-1-ylpropyl)pentan-1-amine
CID 115255871
N-(2-chloroethyl)-N,4-dimethylpentan-1-amine
CID 83168960
3-N,3-dimethyl-3-N-(4-methylpentyl)butane-1,3-diamine
CID 115134994
N,2,2-trimethyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine
CID 161233073
2,2-dimethyl-4-[methyl(4-methylpentyl)amino]butanoic acid
CID 115221210

Frequently Asked Questions

What is the IUPAC name of 1-N,2-dimethyl-1-N-(4-methylpentyl)propane-1,2-diamine?
The IUPAC name of 1-N,2-dimethyl-1-N-(4-methylpentyl)propane-1,2-diamine (CID 115136225) is 1-N,2-dimethyl-1-N-(4-methylpentyl)propane-1,2-diamine.
What is the SMILES notation for 1-N,2-dimethyl-1-N-(4-methylpentyl)propane-1,2-diamine?
The canonical SMILES for 1-N,2-dimethyl-1-N-(4-methylpentyl)propane-1,2-diamine is CC(C)CCCN(C)CC(C)(C)N.
What is the InChIKey of 1-N,2-dimethyl-1-N-(4-methylpentyl)propane-1,2-diamine?
The InChIKey is XPSZOFVCTDONBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-10(2)7-6-8-13(5)9-11(3,4)12/h10H,6-9,12H2,1-5H3.
What are the key properties of 1-N,2-dimethyl-1-N-(4-methylpentyl)propane-1,2-diamine?
1-N,2-dimethyl-1-N-(4-methylpentyl)propane-1,2-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-dimethyl-1-N-(4-methylpentyl)propane-1,2-diamine is sourced from PubChem (CID 115136225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).