N,3-dimethyl-1-(1-methylcyclopentyl)but-2-en-1-amine

C12H23N — CID 105004981

IUPACN,3-dimethyl-1-(1-methylcyclopentyl)but-2-en-1-amine
SMILESCNC(C=C(C)C)C1(C)CCCC1
InChIInChI=1S/C12H23N/c1-10(2)9-11(13-4)12(3)7-5-6-8-12/h9,11,13H,5-8H2,1-4H3
InChIKeyRRWXZAMGODZMDW-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.12
Rot. Bonds3

About N,3-dimethyl-1-(1-methylcyclopentyl)but-2-en-1-amine

N,3-dimethyl-1-(1-methylcyclopentyl)but-2-en-1-amine (PubChem CID 105004981) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N,3-dimethyl-1-(1-methylcyclopentyl)but-2-en-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-(1-methylcyclopentyl)but-2-en-1-amine
PubChem CID105004981
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN,3-dimethyl-1-(1-methylcyclopentyl)but-2-en-1-amine
SMILESCNC(C=C(C)C)C1(C)CCCC1
InChIInChI=1S/C12H23N/c1-10(2)9-11(13-4)12(3)7-5-6-8-12/h9,11,13H,5-8H2,1-4H3
InChIKeyRRWXZAMGODZMDW-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(1-methylcyclopentyl)but-2-en-1-amine?
The IUPAC name of N,3-dimethyl-1-(1-methylcyclopentyl)but-2-en-1-amine (CID 105004981) is N,3-dimethyl-1-(1-methylcyclopentyl)but-2-en-1-amine.
What is the SMILES notation for N,3-dimethyl-1-(1-methylcyclopentyl)but-2-en-1-amine?
The canonical SMILES for N,3-dimethyl-1-(1-methylcyclopentyl)but-2-en-1-amine is CNC(C=C(C)C)C1(C)CCCC1.
What is the InChIKey of N,3-dimethyl-1-(1-methylcyclopentyl)but-2-en-1-amine?
The InChIKey is RRWXZAMGODZMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-10(2)9-11(13-4)12(3)7-5-6-8-12/h9,11,13H,5-8H2,1-4H3.
What are the key properties of N,3-dimethyl-1-(1-methylcyclopentyl)but-2-en-1-amine?
N,3-dimethyl-1-(1-methylcyclopentyl)but-2-en-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(1-methylcyclopentyl)but-2-en-1-amine is sourced from PubChem (CID 105004981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).