3-N,3-dimethyl-3-N-(4-methylpentyl)butane-1,3-diamine

C12H28N2 — CID 115134994

IUPAC3-N,3-dimethyl-3-N-(4-methylpentyl)butane-1,3-diamine
SMILESCC(C)CCCN(C)C(C)(C)CCN
InChIInChI=1S/C12H28N2/c1-11(2)7-6-10-14(5)12(3,4)8-9-13/h11H,6-10,13H2,1-5H3
InChIKeyZYCDLILGSULYQB-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.48
Rot. Bonds7

About 3-N,3-dimethyl-3-N-(4-methylpentyl)butane-1,3-diamine

3-N,3-dimethyl-3-N-(4-methylpentyl)butane-1,3-diamine (PubChem CID 115134994) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 3-N,3-dimethyl-3-N-(4-methylpentyl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N,3-dimethyl-3-N-(4-methylpentyl)butane-1,3-diamine
PubChem CID115134994
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name3-N,3-dimethyl-3-N-(4-methylpentyl)butane-1,3-diamine
SMILESCC(C)CCCN(C)C(C)(C)CCN
InChIInChI=1S/C12H28N2/c1-11(2)7-6-10-14(5)12(3,4)8-9-13/h11H,6-10,13H2,1-5H3
InChIKeyZYCDLILGSULYQB-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-methyl-N'-(4-methylpentyl)propane-1,3-diamine
CID 59817423
1-N,4-N-dimethyl-1-N-(2-methylbutan-2-yl)pentane-1,4-diamine
CID 63982710
2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine
CID 61425411
1-N,2-dimethyl-1-N-(4-methylpentyl)propane-1,2-diamine
CID 115136225
N,2,5-trimethyl-N-(3,3,4-trimethylpentyl)hexan-2-amine
CID 170732877
ethyl 2-methyl-2-[methyl(4-methylpentyl)amino]propanoate
CID 115128915
N-(2,2-dimethylpropyl)-N,4-dimethylpentan-1-amine
CID 90148563
N'-(4-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 83155603
2,2-dimethyl-4-[methyl(4-methylpentyl)amino]butanoic acid
CID 115221210
N-iodo-N,4-dimethylpentan-1-amine
CID 147099385
ethane;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine
CID 157040656
2-N,2-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 61425963

Frequently Asked Questions

What is the IUPAC name of 3-N,3-dimethyl-3-N-(4-methylpentyl)butane-1,3-diamine?
The IUPAC name of 3-N,3-dimethyl-3-N-(4-methylpentyl)butane-1,3-diamine (CID 115134994) is 3-N,3-dimethyl-3-N-(4-methylpentyl)butane-1,3-diamine.
What is the SMILES notation for 3-N,3-dimethyl-3-N-(4-methylpentyl)butane-1,3-diamine?
The canonical SMILES for 3-N,3-dimethyl-3-N-(4-methylpentyl)butane-1,3-diamine is CC(C)CCCN(C)C(C)(C)CCN.
What is the InChIKey of 3-N,3-dimethyl-3-N-(4-methylpentyl)butane-1,3-diamine?
The InChIKey is ZYCDLILGSULYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-11(2)7-6-10-14(5)12(3,4)8-9-13/h11H,6-10,13H2,1-5H3.
What are the key properties of 3-N,3-dimethyl-3-N-(4-methylpentyl)butane-1,3-diamine?
3-N,3-dimethyl-3-N-(4-methylpentyl)butane-1,3-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-dimethyl-3-N-(4-methylpentyl)butane-1,3-diamine is sourced from PubChem (CID 115134994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).