N-methyl-1-[2-(3-methylbut-3-enyl)cyclopentyl]methanamine

C12H23N — CID 114477707

IUPACN-methyl-1-[2-(3-methylbut-3-enyl)cyclopentyl]methanamine
SMILESC=C(C)CCC1CCCC1CNC
InChIInChI=1S/C12H23N/c1-10(2)7-8-11-5-4-6-12(11)9-13-3/h11-13H,1,4-9H2,2-3H3
InChIKeyANSPQTAMMBCGDM-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.98
Rot. Bonds5

About N-methyl-1-[2-(3-methylbut-3-enyl)cyclopentyl]methanamine

N-methyl-1-[2-(3-methylbut-3-enyl)cyclopentyl]methanamine (PubChem CID 114477707) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-methyl-1-[2-(3-methylbut-3-enyl)cyclopentyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(3-methylbut-3-enyl)cyclopentyl]methanamine
PubChem CID114477707
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-methyl-1-[2-(3-methylbut-3-enyl)cyclopentyl]methanamine
SMILESC=C(C)CCC1CCCC1CNC
InChIInChI=1S/C12H23N/c1-10(2)7-8-11-5-4-6-12(11)9-13-3/h11-13H,1,4-9H2,2-3H3
InChIKeyANSPQTAMMBCGDM-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.98
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-methyl-1-[2-(3-methylbut-3-enyl)cyclopentyl]methanamine?
The IUPAC name of N-methyl-1-[2-(3-methylbut-3-enyl)cyclopentyl]methanamine (CID 114477707) is N-methyl-1-[2-(3-methylbut-3-enyl)cyclopentyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(3-methylbut-3-enyl)cyclopentyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(3-methylbut-3-enyl)cyclopentyl]methanamine is C=C(C)CCC1CCCC1CNC.
What is the InChIKey of N-methyl-1-[2-(3-methylbut-3-enyl)cyclopentyl]methanamine?
The InChIKey is ANSPQTAMMBCGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-10(2)7-8-11-5-4-6-12(11)9-13-3/h11-13H,1,4-9H2,2-3H3.
What are the key properties of N-methyl-1-[2-(3-methylbut-3-enyl)cyclopentyl]methanamine?
N-methyl-1-[2-(3-methylbut-3-enyl)cyclopentyl]methanamine has a molecular weight of 181.32 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(3-methylbut-3-enyl)cyclopentyl]methanamine is sourced from PubChem (CID 114477707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).