N-[[2-(2-methylidenebutyl)cyclopentyl]methyl]ethanamine

C13H25N — CID 81035116

IUPACN-[[2-(2-methylidenebutyl)cyclopentyl]methyl]ethanamine
SMILESC=C(CC)CC1CCCC1CNCC
InChIInChI=1S/C13H25N/c1-4-11(3)9-12-7-6-8-13(12)10-14-5-2/h12-14H,3-10H2,1-2H3
InChIKeyCGCUMGVZFWIVJZ-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.37
Rot. Bonds6

About N-[[2-(2-methylidenebutyl)cyclopentyl]methyl]ethanamine

N-[[2-(2-methylidenebutyl)cyclopentyl]methyl]ethanamine (PubChem CID 81035116) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-[[2-(2-methylidenebutyl)cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-methylidenebutyl)cyclopentyl]methyl]ethanamine
PubChem CID81035116
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-[[2-(2-methylidenebutyl)cyclopentyl]methyl]ethanamine
SMILESC=C(CC)CC1CCCC1CNCC
InChIInChI=1S/C13H25N/c1-4-11(3)9-12-7-6-8-13(12)10-14-5-2/h12-14H,3-10H2,1-2H3
InChIKeyCGCUMGVZFWIVJZ-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.37
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-[[2-(2-methylidenebutyl)cyclopentyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-methylidenebutyl)cyclopentyl]methyl]ethanamine (CID 81035116) is N-[[2-(2-methylidenebutyl)cyclopentyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-methylidenebutyl)cyclopentyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-methylidenebutyl)cyclopentyl]methyl]ethanamine is C=C(CC)CC1CCCC1CNCC.
What is the InChIKey of N-[[2-(2-methylidenebutyl)cyclopentyl]methyl]ethanamine?
The InChIKey is CGCUMGVZFWIVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-4-11(3)9-12-7-6-8-13(12)10-14-5-2/h12-14H,3-10H2,1-2H3.
What are the key properties of N-[[2-(2-methylidenebutyl)cyclopentyl]methyl]ethanamine?
N-[[2-(2-methylidenebutyl)cyclopentyl]methyl]ethanamine has a molecular weight of 195.35 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylidenebutyl)cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 81035116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).