3-N-cyclopropyl-2,2-dimethyl-3-N-(3-methylbutyl)hexane-3,4-diamine

C16H34N2 — CID 78974732

IUPAC3-N-cyclopropyl-2,2-dimethyl-3-N-(3-methylbutyl)hexane-3,4-diamine
SMILESCCC(N)C(N(CCC(C)C)C1CC1)C(C)(C)C
InChIInChI=1S/C16H34N2/c1-7-14(17)15(16(4,5)6)18(13-8-9-13)11-10-12(2)3/h12-15H,7-11,17H2,1-6H3
InChIKeyGPQJWUUBWVUJFN-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.65
Rot. Bonds7

About 3-N-cyclopropyl-2,2-dimethyl-3-N-(3-methylbutyl)hexane-3,4-diamine

3-N-cyclopropyl-2,2-dimethyl-3-N-(3-methylbutyl)hexane-3,4-diamine (PubChem CID 78974732) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 3-N-cyclopropyl-2,2-dimethyl-3-N-(3-methylbutyl)hexane-3,4-diamine.

Molecular Properties

Compound Name3-N-cyclopropyl-2,2-dimethyl-3-N-(3-methylbutyl)hexane-3,4-diamine
PubChem CID78974732
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name3-N-cyclopropyl-2,2-dimethyl-3-N-(3-methylbutyl)hexane-3,4-diamine
SMILESCCC(N)C(N(CCC(C)C)C1CC1)C(C)(C)C
InChIInChI=1S/C16H34N2/c1-7-14(17)15(16(4,5)6)18(13-8-9-13)11-10-12(2)3/h12-15H,7-11,17H2,1-6H3
InChIKeyGPQJWUUBWVUJFN-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-tert-butyl-2-N-cyclopropyl-2-N-(3-methylbutyl)propane-1,2-diamine
CID 78989879
1-N-tert-butyl-2-N-cyclopropyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 78989943
2-[cyclopropyl(3-methylbutyl)amino]butanenitrile
CID 78975307
1-N-cyclopropyl-1-N-(3-methylbutyl)-1-(3-methylthiophen-2-yl)butane-1,2-diamine
CID 78974725
1-N-cyclopropyl-1-N-(3-methylbutyl)butane-1,2-diamine
CID 78974367
2-N-cyclopropyl-2-N-(3-methylbutyl)-1-N-pentan-3-ylpropane-1,2-diamine
CID 78991141
3-[cyclopropyl(3-methylbutyl)amino]pentanenitrile
CID 78974209
2-N-cyclopropyl-1-N,2-N-bis(3-methylbutyl)propane-1,2-diamine
CID 78991146
methyl 2-[cyclopropyl(3-methylbutyl)amino]propanoate
CID 78976556
3-N-(cyclobutylmethyl)-3-N,2,2-trimethylhexane-3,4-diamine
CID 62861280
2-N-cyclopropyl-1-(4-ethylphenyl)-2-N-(3-methylbutyl)propane-1,2-diamine
CID 78943985
4-[1-[cyclopropyl(3-methylbutyl)amino]ethyl]aniline
CID 78973906

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopropyl-2,2-dimethyl-3-N-(3-methylbutyl)hexane-3,4-diamine?
The IUPAC name of 3-N-cyclopropyl-2,2-dimethyl-3-N-(3-methylbutyl)hexane-3,4-diamine (CID 78974732) is 3-N-cyclopropyl-2,2-dimethyl-3-N-(3-methylbutyl)hexane-3,4-diamine.
What is the SMILES notation for 3-N-cyclopropyl-2,2-dimethyl-3-N-(3-methylbutyl)hexane-3,4-diamine?
The canonical SMILES for 3-N-cyclopropyl-2,2-dimethyl-3-N-(3-methylbutyl)hexane-3,4-diamine is CCC(N)C(N(CCC(C)C)C1CC1)C(C)(C)C.
What is the InChIKey of 3-N-cyclopropyl-2,2-dimethyl-3-N-(3-methylbutyl)hexane-3,4-diamine?
The InChIKey is GPQJWUUBWVUJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-7-14(17)15(16(4,5)6)18(13-8-9-13)11-10-12(2)3/h12-15H,7-11,17H2,1-6H3.
What are the key properties of 3-N-cyclopropyl-2,2-dimethyl-3-N-(3-methylbutyl)hexane-3,4-diamine?
3-N-cyclopropyl-2,2-dimethyl-3-N-(3-methylbutyl)hexane-3,4-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopropyl-2,2-dimethyl-3-N-(3-methylbutyl)hexane-3,4-diamine is sourced from PubChem (CID 78974732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).