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

C11H26N2 — CID 90943925

IUPAC1-N-methyl-1-N-(4-methylpentyl)butane-1,3-diamine
SMILESCC(C)CCCN(C)CCC(C)N
InChIInChI=1S/C11H26N2/c1-10(2)6-5-8-13(4)9-7-11(3)12/h10-11H,5-9,12H2,1-4H3
InChIKeyCBBHKHIZWXLCMK-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.09
Rot. Bonds7

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

1-N-methyl-1-N-(4-methylpentyl)butane-1,3-diamine (PubChem CID 90943925) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 1-N-methyl-1-N-(4-methylpentyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(4-methylpentyl)butane-1,3-diamine
PubChem CID90943925
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name1-N-methyl-1-N-(4-methylpentyl)butane-1,3-diamine
SMILESCC(C)CCCN(C)CCC(C)N
InChIInChI=1S/C11H26N2/c1-10(2)6-5-8-13(4)9-7-11(3)12/h10-11H,5-9,12H2,1-4H3
InChIKeyCBBHKHIZWXLCMK-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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'-methyl-N'-(4-methylpentyl)propane-1,3-diamine
CID 59817423
N-butyl-N,4-dimethylpentan-1-amine
CID 88539043
N-(2-chloroethyl)-N,4-dimethylpentan-1-amine
CID 83168960
N'-methyl-N'-(3-methylbutyl)butane-1,4-diamine
CID 61425657
1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,5-diamine
CID 63693646
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-methyl-2-[[methyl(4-methylpentyl)amino]methyl]butanenitrile
CID 115254673
N-(2,2-dimethylpropyl)-N,4-dimethylpentan-1-amine
CID 90148563
4-[methyl(3-methylbutyl)amino]butan-1-ol
CID 61429001

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(4-methylpentyl)butane-1,3-diamine?
The IUPAC name of 1-N-methyl-1-N-(4-methylpentyl)butane-1,3-diamine (CID 90943925) is 1-N-methyl-1-N-(4-methylpentyl)butane-1,3-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(4-methylpentyl)butane-1,3-diamine?
The canonical SMILES for 1-N-methyl-1-N-(4-methylpentyl)butane-1,3-diamine is CC(C)CCCN(C)CCC(C)N.
What is the InChIKey of 1-N-methyl-1-N-(4-methylpentyl)butane-1,3-diamine?
The InChIKey is CBBHKHIZWXLCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-10(2)6-5-8-13(4)9-7-11(3)12/h10-11H,5-9,12H2,1-4H3.
What are the key properties of 1-N-methyl-1-N-(4-methylpentyl)butane-1,3-diamine?
1-N-methyl-1-N-(4-methylpentyl)butane-1,3-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(4-methylpentyl)butane-1,3-diamine is sourced from PubChem (CID 90943925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).