1-N-tert-butyl-1-N,3,3-trimethylcyclopentane-1,2-diamine

C12H26N2 — CID 127003857

IUPAC1-N-tert-butyl-1-N,3,3-trimethylcyclopentane-1,2-diamine
SMILESCN(C1CCC(C)(C)C1N)C(C)(C)C
InChIInChI=1S/C12H26N2/c1-11(2,3)14(6)9-7-8-12(4,5)10(9)13/h9-10H,7-8,13H2,1-6H3
InChIKeyAMKUETDYIFUERK-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.23
Rot. Bonds1

About 1-N-tert-butyl-1-N,3,3-trimethylcyclopentane-1,2-diamine

1-N-tert-butyl-1-N,3,3-trimethylcyclopentane-1,2-diamine (PubChem CID 127003857) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-N-tert-butyl-1-N,3,3-trimethylcyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-1-N,3,3-trimethylcyclopentane-1,2-diamine
PubChem CID127003857
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-N-tert-butyl-1-N,3,3-trimethylcyclopentane-1,2-diamine
SMILESCN(C1CCC(C)(C)C1N)C(C)(C)C
InChIInChI=1S/C12H26N2/c1-11(2,3)14(6)9-7-8-12(4,5)10(9)13/h9-10H,7-8,13H2,1-6H3
InChIKeyAMKUETDYIFUERK-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cyclopentyl-1-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine
CID 79864399
1-N-cyclopropyl-3,3-dimethyl-1-N-(2,2,2-trifluoroethyl)cyclopentane-1,2-diamine
CID 79859572
(1R)-2,2-dimethylcyclobutan-1-amine
CID 99645727
1-N-ethyl-1-N,3,3-trimethylcyclohexane-1,2-diamine
CID 79829556
5-(dimethylamino)-2,2-dimethylcyclopentan-1-ol
CID 79857600
N-tert-butyl-N,2-dimethylcyclohexan-1-amine
CID 139320124
1-N,3,3-trimethyl-1-N-propylcyclohexane-1,2-diamine
CID 79829475
1-N-cyclopropyl-3,3-dimethyl-1-N-(3-methylbutyl)cyclopentane-1,2-diamine
CID 79860626
1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine
CID 79828435
1-N,3,3-trimethyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1,2-diamine
CID 79859996
1-N,3,3-trimethyl-1-N-(3-methylcyclohexyl)cyclohexane-1,2-diamine
CID 79828438
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N,2-dimethyloxolan-3-amine
CID 82743684

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-1-N,3,3-trimethylcyclopentane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-1-N,3,3-trimethylcyclopentane-1,2-diamine (CID 127003857) is 1-N-tert-butyl-1-N,3,3-trimethylcyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-1-N,3,3-trimethylcyclopentane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-1-N,3,3-trimethylcyclopentane-1,2-diamine is CN(C1CCC(C)(C)C1N)C(C)(C)C.
What is the InChIKey of 1-N-tert-butyl-1-N,3,3-trimethylcyclopentane-1,2-diamine?
The InChIKey is AMKUETDYIFUERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-11(2,3)14(6)9-7-8-12(4,5)10(9)13/h9-10H,7-8,13H2,1-6H3.
What are the key properties of 1-N-tert-butyl-1-N,3,3-trimethylcyclopentane-1,2-diamine?
1-N-tert-butyl-1-N,3,3-trimethylcyclopentane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-1-N,3,3-trimethylcyclopentane-1,2-diamine is sourced from PubChem (CID 127003857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).