2-N-(cyclobutylmethyl)-2-N-ethyl-4,4-dimethylpentane-1,2-diamine

C14H30N2 — CID 107397832

IUPAC2-N-(cyclobutylmethyl)-2-N-ethyl-4,4-dimethylpentane-1,2-diamine
SMILESCCN(CC1CCC1)C(CN)CC(C)(C)C
InChIInChI=1S/C14H30N2/c1-5-16(11-12-7-6-8-12)13(10-15)9-14(2,3)4/h12-13H,5-11,15H2,1-4H3
InChIKeyUSFHSQVYQMZMGU-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.87
Rot. Bonds6

About 2-N-(cyclobutylmethyl)-2-N-ethyl-4,4-dimethylpentane-1,2-diamine

2-N-(cyclobutylmethyl)-2-N-ethyl-4,4-dimethylpentane-1,2-diamine (PubChem CID 107397832) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-N-(cyclobutylmethyl)-2-N-ethyl-4,4-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclobutylmethyl)-2-N-ethyl-4,4-dimethylpentane-1,2-diamine
PubChem CID107397832
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-N-(cyclobutylmethyl)-2-N-ethyl-4,4-dimethylpentane-1,2-diamine
SMILESCCN(CC1CCC1)C(CN)CC(C)(C)C
InChIInChI=1S/C14H30N2/c1-5-16(11-12-7-6-8-12)13(10-15)9-14(2,3)4/h12-13H,5-11,15H2,1-4H3
InChIKeyUSFHSQVYQMZMGU-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-(cyclohexylmethyl)-2-N,4,4-trimethylpentane-1,2-diamine
CID 62950046
tert-butyl N-[4-amino-3-[cyclobutylmethyl(ethyl)amino]butyl]carbamate
CID 107397726
4-amino-3-[cyclobutylmethyl(ethyl)amino]-N-ethylbutanamide
CID 107397676
2-N-(cyclobutylmethyl)-2-N-ethyl-4-phenylbutane-1,2-diamine
CID 107397853
2-N-cyclopentyl-2-N,4,4-trimethylpentane-1,2-diamine
CID 62951525
4-amino-N-tert-butyl-3-[cyclopropylmethyl(ethyl)amino]butanamide
CID 66432868
N'-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-N'-methylpropane-1,3-diamine
CID 107473176
2-N,4,4-trimethyl-2-N-(oxan-3-ylmethyl)pentane-1,2-diamine
CID 63725413
4-N-(cyclobutylmethyl)-4-N-ethyl-5-methoxypentane-1,4-diamine
CID 107402945
N-(cyclobutylmethyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 107397656
2-(aminomethyl)-N-(cyclobutylmethyl)-N,4,4-trimethylpentanamide
CID 107472079
4-amino-3-[cyclopropylmethyl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one
CID 66430078

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclobutylmethyl)-2-N-ethyl-4,4-dimethylpentane-1,2-diamine?
The IUPAC name of 2-N-(cyclobutylmethyl)-2-N-ethyl-4,4-dimethylpentane-1,2-diamine (CID 107397832) is 2-N-(cyclobutylmethyl)-2-N-ethyl-4,4-dimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclobutylmethyl)-2-N-ethyl-4,4-dimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-(cyclobutylmethyl)-2-N-ethyl-4,4-dimethylpentane-1,2-diamine is CCN(CC1CCC1)C(CN)CC(C)(C)C.
What is the InChIKey of 2-N-(cyclobutylmethyl)-2-N-ethyl-4,4-dimethylpentane-1,2-diamine?
The InChIKey is USFHSQVYQMZMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-16(11-12-7-6-8-12)13(10-15)9-14(2,3)4/h12-13H,5-11,15H2,1-4H3.
What are the key properties of 2-N-(cyclobutylmethyl)-2-N-ethyl-4,4-dimethylpentane-1,2-diamine?
2-N-(cyclobutylmethyl)-2-N-ethyl-4,4-dimethylpentane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclobutylmethyl)-2-N-ethyl-4,4-dimethylpentane-1,2-diamine is sourced from PubChem (CID 107397832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).