N-[2-(cyclopentyloxymethyl)prop-2-enyl]cyclopropanamine

C12H21NO — CID 103074330

IUPACN-[2-(cyclopentyloxymethyl)prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COC1CCCC1
InChIInChI=1S/C12H21NO/c1-10(8-13-11-6-7-11)9-14-12-4-2-3-5-12/h11-13H,1-9H2
InChIKeyCDLSNHPYMUVJGF-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.25
Rot. Bonds6

About N-[2-(cyclopentyloxymethyl)prop-2-enyl]cyclopropanamine

N-[2-(cyclopentyloxymethyl)prop-2-enyl]cyclopropanamine (PubChem CID 103074330) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[2-(cyclopentyloxymethyl)prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(cyclopentyloxymethyl)prop-2-enyl]cyclopropanamine
PubChem CID103074330
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-[2-(cyclopentyloxymethyl)prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COC1CCCC1
InChIInChI=1S/C12H21NO/c1-10(8-13-11-6-7-11)9-14-12-4-2-3-5-12/h11-13H,1-9H2
InChIKeyCDLSNHPYMUVJGF-UHFFFAOYSA-N
XLogP2.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(cyclopentyloxymethyl)prop-2-enyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(cyclohexyloxymethyl)prop-2-enyl]cyclopropanamine
CID 103074323
2-(cyclopentyloxymethyl)-N-ethylprop-2-en-1-amine
CID 103074329
2-(cyclopentyloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074331
N-tert-butyl-2-(cyclopentyloxymethyl)prop-2-en-1-amine
CID 103074332
2-(cyclopentyloxymethyl)-N-propylprop-2-en-1-amine
CID 103074333
2-(cyclopentyloxymethyl)-N-methylprop-2-en-1-amine
CID 103074335
N-[2-(ethoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074364
N-[2-(propan-2-yloxymethyl)prop-2-enyl]cyclopropanamine
CID 103074435
N-propan-2-yl-2-(propan-2-yloxymethyl)prop-2-en-1-amine
CID 103074436
N-[2-(oxan-2-ylmethoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074448
N-[2-(oxolan-2-ylmethoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074462
N-[2-(4-methylpentan-2-yloxymethyl)prop-2-enyl]cyclopropanamine
CID 103074478

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentyloxymethyl)prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-(cyclopentyloxymethyl)prop-2-enyl]cyclopropanamine (CID 103074330) is N-[2-(cyclopentyloxymethyl)prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-(cyclopentyloxymethyl)prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-(cyclopentyloxymethyl)prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)COC1CCCC1.
What is the InChIKey of N-[2-(cyclopentyloxymethyl)prop-2-enyl]cyclopropanamine?
The InChIKey is CDLSNHPYMUVJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10(8-13-11-6-7-11)9-14-12-4-2-3-5-12/h11-13H,1-9H2.
What are the key properties of N-[2-(cyclopentyloxymethyl)prop-2-enyl]cyclopropanamine?
N-[2-(cyclopentyloxymethyl)prop-2-enyl]cyclopropanamine has a molecular weight of 195.31 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentyloxymethyl)prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103074330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).