3-N-(cyclobutylmethyl)-3-N,2,2-trimethylhexane-3,4-diamine

C14H30N2 — CID 62861280

IUPAC3-N-(cyclobutylmethyl)-3-N,2,2-trimethylhexane-3,4-diamine
SMILESCCC(N)C(N(C)CC1CCC1)C(C)(C)C
InChIInChI=1S/C14H30N2/c1-6-12(15)13(14(2,3)4)16(5)10-11-8-7-9-11/h11-13H,6-10,15H2,1-5H3
InChIKeyMMLCQDOEDUQEGL-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.87
Rot. Bonds5

About 3-N-(cyclobutylmethyl)-3-N,2,2-trimethylhexane-3,4-diamine

3-N-(cyclobutylmethyl)-3-N,2,2-trimethylhexane-3,4-diamine (PubChem CID 62861280) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 3-N-(cyclobutylmethyl)-3-N,2,2-trimethylhexane-3,4-diamine.

Molecular Properties

Compound Name3-N-(cyclobutylmethyl)-3-N,2,2-trimethylhexane-3,4-diamine
PubChem CID62861280
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name3-N-(cyclobutylmethyl)-3-N,2,2-trimethylhexane-3,4-diamine
SMILESCCC(N)C(N(C)CC1CCC1)C(C)(C)C
InChIInChI=1S/C14H30N2/c1-6-12(15)13(14(2,3)4)16(5)10-11-8-7-9-11/h11-13H,6-10,15H2,1-5H3
InChIKeyMMLCQDOEDUQEGL-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(cyclobutylmethyl)-3-ethyl-2-N-methylpentane-1,2-diamine
CID 62861474
2-N-(cyclopentylmethyl)-2-N-methylbutane-1,2-diamine
CID 63632440
1-N-(cyclobutylmethyl)-1-N-methyl-1-(3-methylphenyl)butane-1,2-diamine
CID 62861456
(2R)-2-[cyclobutylmethyl(methyl)amino]propan-1-ol
CID 131200890
2-N-(cyclohexylmethyl)-2-N-methylbutane-1,2-diamine
CID 61444608
1-(5-chlorothiophen-2-yl)-1-N-(cyclohexylmethyl)-1-N-methylbutane-1,2-diamine
CID 63406517
3-[cyclobutylmethyl(methyl)amino]pentanethioamide
CID 62861317
1-N-(cyclopentylmethyl)-1-(2-fluorophenyl)-1-N-methylbutane-1,2-diamine
CID 63633108
3-N-cyclopropyl-2,2-dimethyl-3-N-(3-methylbutyl)hexane-3,4-diamine
CID 78974732
3-amino-2-[cyclobutylmethyl(methyl)amino]-3-cyclopropylpropan-1-ol
CID 114357128
2-[cyclopentylmethyl(methyl)amino]butanamide
CID 62923981
3-N-(cyclohexylmethyl)-3-N-methylpentane-1,3-diamine
CID 61444292

Frequently Asked Questions

What is the IUPAC name of 3-N-(cyclobutylmethyl)-3-N,2,2-trimethylhexane-3,4-diamine?
The IUPAC name of 3-N-(cyclobutylmethyl)-3-N,2,2-trimethylhexane-3,4-diamine (CID 62861280) is 3-N-(cyclobutylmethyl)-3-N,2,2-trimethylhexane-3,4-diamine.
What is the SMILES notation for 3-N-(cyclobutylmethyl)-3-N,2,2-trimethylhexane-3,4-diamine?
The canonical SMILES for 3-N-(cyclobutylmethyl)-3-N,2,2-trimethylhexane-3,4-diamine is CCC(N)C(N(C)CC1CCC1)C(C)(C)C.
What is the InChIKey of 3-N-(cyclobutylmethyl)-3-N,2,2-trimethylhexane-3,4-diamine?
The InChIKey is MMLCQDOEDUQEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-6-12(15)13(14(2,3)4)16(5)10-11-8-7-9-11/h11-13H,6-10,15H2,1-5H3.
What are the key properties of 3-N-(cyclobutylmethyl)-3-N,2,2-trimethylhexane-3,4-diamine?
3-N-(cyclobutylmethyl)-3-N,2,2-trimethylhexane-3,4-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(cyclobutylmethyl)-3-N,2,2-trimethylhexane-3,4-diamine is sourced from PubChem (CID 62861280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).