N'-butan-2-yl-N-(2,2-dimethylcyclopentyl)-N'-methylethane-1,2-diamine

C14H30N2 — CID 115716401

IUPACN'-butan-2-yl-N-(2,2-dimethylcyclopentyl)-N'-methylethane-1,2-diamine
SMILESCCC(C)N(C)CCNC1CCCC1(C)C
InChIInChI=1S/C14H30N2/c1-6-12(2)16(5)11-10-15-13-8-7-9-14(13,3)4/h12-13,15H,6-11H2,1-5H3
InChIKeyXOVAKEZDMWVODW-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.88
Rot. Bonds6

About N'-butan-2-yl-N-(2,2-dimethylcyclopentyl)-N'-methylethane-1,2-diamine

N'-butan-2-yl-N-(2,2-dimethylcyclopentyl)-N'-methylethane-1,2-diamine (PubChem CID 115716401) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N'-butan-2-yl-N-(2,2-dimethylcyclopentyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N-(2,2-dimethylcyclopentyl)-N'-methylethane-1,2-diamine
PubChem CID115716401
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN'-butan-2-yl-N-(2,2-dimethylcyclopentyl)-N'-methylethane-1,2-diamine
SMILESCCC(C)N(C)CCNC1CCCC1(C)C
InChIInChI=1S/C14H30N2/c1-6-12(2)16(5)11-10-15-13-8-7-9-14(13,3)4/h12-13,15H,6-11H2,1-5H3
InChIKeyXOVAKEZDMWVODW-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[butan-2-yl(methyl)amino]ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 103951997
N-(2,2-dimethylcyclohexyl)-N',N'-dimethylpropane-1,3-diamine
CID 79828762
2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79828821
N-ethyl-2,2-dimethylcyclopentan-1-amine;hydrochloride
CID 154577104
1-N-(2,2-dimethylcyclopentyl)-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 79864207
2,2-dimethyl-N-(2-methylbutyl)cyclohexan-1-amine
CID 79836799
2,2-dimethyl-N-[2-(2-methylpropylsulfanyl)ethyl]cyclopentan-1-amine
CID 115896665
N-(2,2-dimethylcyclohexyl)-N',N'-diethylpropane-1,3-diamine
CID 79828517
3-[(2,2-dimethylcyclopentyl)amino]propan-1-ol
CID 79865194
N-(2-cyclopropylpropyl)-2,2-dimethylcyclopentan-1-amine
CID 115713968
N'-cyclohexyl-N-(2,2-dimethylcyclohexyl)-N'-methylpropane-1,3-diamine
CID 79834348
N'-butan-2-yl-N-(3-ethylcyclohexyl)-N'-methylethane-1,2-diamine
CID 103698983

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N-(2,2-dimethylcyclopentyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-N-(2,2-dimethylcyclopentyl)-N'-methylethane-1,2-diamine (CID 115716401) is N'-butan-2-yl-N-(2,2-dimethylcyclopentyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-N-(2,2-dimethylcyclopentyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-N-(2,2-dimethylcyclopentyl)-N'-methylethane-1,2-diamine is CCC(C)N(C)CCNC1CCCC1(C)C.
What is the InChIKey of N'-butan-2-yl-N-(2,2-dimethylcyclopentyl)-N'-methylethane-1,2-diamine?
The InChIKey is XOVAKEZDMWVODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-6-12(2)16(5)11-10-15-13-8-7-9-14(13,3)4/h12-13,15H,6-11H2,1-5H3.
What are the key properties of N'-butan-2-yl-N-(2,2-dimethylcyclopentyl)-N'-methylethane-1,2-diamine?
N'-butan-2-yl-N-(2,2-dimethylcyclopentyl)-N'-methylethane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-(2,2-dimethylcyclopentyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 115716401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).