1-(2-but-3-enylcyclopentyl)-N-methylmethanamine

C11H21N — CID 81034275

IUPAC1-(2-but-3-enylcyclopentyl)-N-methylmethanamine
SMILESC=CCCC1CCCC1CNC
InChIInChI=1S/C11H21N/c1-3-4-6-10-7-5-8-11(10)9-12-2/h3,10-12H,1,4-9H2,2H3
InChIKeyJDWKFEGMZIGHJJ-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.59
Rot. Bonds5

About 1-(2-but-3-enylcyclopentyl)-N-methylmethanamine

1-(2-but-3-enylcyclopentyl)-N-methylmethanamine (PubChem CID 81034275) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-(2-but-3-enylcyclopentyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-but-3-enylcyclopentyl)-N-methylmethanamine
PubChem CID81034275
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-(2-but-3-enylcyclopentyl)-N-methylmethanamine
SMILESC=CCCC1CCCC1CNC
InChIInChI=1S/C11H21N/c1-3-4-6-10-7-5-8-11(10)9-12-2/h3,10-12H,1,4-9H2,2H3
InChIKeyJDWKFEGMZIGHJJ-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-but-3-enyl-4-tert-butylcyclohexyl)-N-methylmethanamine
CID 81030458
N-methyl-1-[2-(2-methylpropyl)cyclopentyl]methanamine
CID 81033789
N-[(2-pent-4-enylcyclohexyl)methyl]propan-1-amine
CID 81027900
N-methyl-1-[2-[2-(oxolan-2-yl)ethyl]cyclopentyl]methanamine
CID 81034767
N-methyl-1-[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methanamine
CID 106735482
cis-(1S,2R)-2-(methylaminomethyl)cyclopentan-1-ol
CID 13133890
1-(2-but-3-ynylcycloheptyl)-N-methylmethanamine
CID 81026569
1-(2-hexylcycloheptyl)-N-methylmethanamine
CID 81025973
1-(2-cyclohexylcyclopentyl)-N-methylmethanamine
CID 81033950
1-[2-(cyclohexylmethyl)cyclopentyl]-N-methylmethanamine
CID 81033803
N-[(2-pent-4-enylcyclobutyl)methyl]ethanamine
CID 81018015
N-methyl-1-[2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
CID 116628166

Frequently Asked Questions

What is the IUPAC name of 1-(2-but-3-enylcyclopentyl)-N-methylmethanamine?
The IUPAC name of 1-(2-but-3-enylcyclopentyl)-N-methylmethanamine (CID 81034275) is 1-(2-but-3-enylcyclopentyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-but-3-enylcyclopentyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-but-3-enylcyclopentyl)-N-methylmethanamine is C=CCCC1CCCC1CNC.
What is the InChIKey of 1-(2-but-3-enylcyclopentyl)-N-methylmethanamine?
The InChIKey is JDWKFEGMZIGHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-3-4-6-10-7-5-8-11(10)9-12-2/h3,10-12H,1,4-9H2,2H3.
What are the key properties of 1-(2-but-3-enylcyclopentyl)-N-methylmethanamine?
1-(2-but-3-enylcyclopentyl)-N-methylmethanamine has a molecular weight of 167.30 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-3-enylcyclopentyl)-N-methylmethanamine is sourced from PubChem (CID 81034275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).