N-(3,3-dimethylbut-1-en-2-yl)-1-methylcyclopentan-1-amine

C12H23N — CID 129060446

IUPACN-(3,3-dimethylbut-1-en-2-yl)-1-methylcyclopentan-1-amine
SMILESC=C(NC1(C)CCCC1)C(C)(C)C
InChIInChI=1S/C12H23N/c1-10(11(2,3)4)13-12(5)8-6-7-9-12/h13H,1,6-9H2,2-5H3
InChIKeyGHPJUXWAVXZKDO-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.47
Rot. Bonds2

About N-(3,3-dimethylbut-1-en-2-yl)-1-methylcyclopentan-1-amine

N-(3,3-dimethylbut-1-en-2-yl)-1-methylcyclopentan-1-amine (PubChem CID 129060446) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-(3,3-dimethylbut-1-en-2-yl)-1-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbut-1-en-2-yl)-1-methylcyclopentan-1-amine
PubChem CID129060446
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-(3,3-dimethylbut-1-en-2-yl)-1-methylcyclopentan-1-amine
SMILESC=C(NC1(C)CCCC1)C(C)(C)C
InChIInChI=1S/C12H23N/c1-10(11(2,3)4)13-12(5)8-6-7-9-12/h13H,1,6-9H2,2-5H3
InChIKeyGHPJUXWAVXZKDO-UHFFFAOYSA-N
XLogP3.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)-1-methylcyclopentan-1-amine?
The IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)-1-methylcyclopentan-1-amine (CID 129060446) is N-(3,3-dimethylbut-1-en-2-yl)-1-methylcyclopentan-1-amine.
What is the SMILES notation for N-(3,3-dimethylbut-1-en-2-yl)-1-methylcyclopentan-1-amine?
The canonical SMILES for N-(3,3-dimethylbut-1-en-2-yl)-1-methylcyclopentan-1-amine is C=C(NC1(C)CCCC1)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbut-1-en-2-yl)-1-methylcyclopentan-1-amine?
The InChIKey is GHPJUXWAVXZKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-10(11(2,3)4)13-12(5)8-6-7-9-12/h13H,1,6-9H2,2-5H3.
What are the key properties of N-(3,3-dimethylbut-1-en-2-yl)-1-methylcyclopentan-1-amine?
N-(3,3-dimethylbut-1-en-2-yl)-1-methylcyclopentan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbut-1-en-2-yl)-1-methylcyclopentan-1-amine is sourced from PubChem (CID 129060446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).