N-[(2-benzylcyclopropyl)methyl]ethanamine

C13H19N — CID 62703862

IUPACN-[(2-benzylcyclopropyl)methyl]ethanamine
SMILESCCNCC1CC1Cc1ccccc1
InChIInChI=1S/C13H19N/c1-2-14-10-13-9-12(13)8-11-6-4-3-5-7-11/h3-7,12-14H,2,8-10H2,1H3
InChIKeyLBGCRQHIJBVFEC-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.47
Rot. Bonds5

About N-[(2-benzylcyclopropyl)methyl]ethanamine

N-[(2-benzylcyclopropyl)methyl]ethanamine (PubChem CID 62703862) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-[(2-benzylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-benzylcyclopropyl)methyl]ethanamine
PubChem CID62703862
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-[(2-benzylcyclopropyl)methyl]ethanamine
SMILESCCNCC1CC1Cc1ccccc1
InChIInChI=1S/C13H19N/c1-2-14-10-13-9-12(13)8-11-6-4-3-5-7-11/h3-7,12-14H,2,8-10H2,1H3
InChIKeyLBGCRQHIJBVFEC-UHFFFAOYSA-N
XLogP2.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-benzylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[(2-benzylcyclopropyl)methyl]ethanamine (CID 62703862) is N-[(2-benzylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-benzylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[(2-benzylcyclopropyl)methyl]ethanamine is CCNCC1CC1Cc1ccccc1.
What is the InChIKey of N-[(2-benzylcyclopropyl)methyl]ethanamine?
The InChIKey is LBGCRQHIJBVFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-2-14-10-13-9-12(13)8-11-6-4-3-5-7-11/h3-7,12-14H,2,8-10H2,1H3.
What are the key properties of N-[(2-benzylcyclopropyl)methyl]ethanamine?
N-[(2-benzylcyclopropyl)methyl]ethanamine has a molecular weight of 189.30 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 62703862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).