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

C13H23NO — CID 103074323

IUPACN-[2-(cyclohexyloxymethyl)prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COC1CCCCC1
InChIInChI=1S/C13H23NO/c1-11(9-14-12-7-8-12)10-15-13-5-3-2-4-6-13/h12-14H,1-10H2
InChIKeySCXXDLGUASFEMO-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.64
Rot. Bonds6

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

N-[2-(cyclohexyloxymethyl)prop-2-enyl]cyclopropanamine (PubChem CID 103074323) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-[2-(cyclohexyloxymethyl)prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(cyclohexyloxymethyl)prop-2-enyl]cyclopropanamine
PubChem CID103074323
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-[2-(cyclohexyloxymethyl)prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COC1CCCCC1
InChIInChI=1S/C13H23NO/c1-11(9-14-12-7-8-12)10-15-13-5-3-2-4-6-13/h12-14H,1-10H2
InChIKeySCXXDLGUASFEMO-UHFFFAOYSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexyloxymethyl)-N-ethylprop-2-en-1-amine
CID 103074322
2-(cyclohexyloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074324
N-tert-butyl-2-(cyclohexyloxymethyl)prop-2-en-1-amine
CID 103074325
2-(cyclohexyloxymethyl)-N-propylprop-2-en-1-amine
CID 103074326
2-(cyclohexyloxymethyl)-N-methylprop-2-en-1-amine
CID 103074328
N-[2-(cyclopentyloxymethyl)prop-2-enyl]cyclopropanamine
CID 103074330
N-[2-[(4-methylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine
CID 103074396
2-[(4-methylcyclohexyl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine
CID 103074397
N-[2-[(2-ethylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine
CID 103074403
N-[2-[(2-methylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine
CID 103074409
N-[2-(propan-2-yloxymethyl)prop-2-enyl]cyclopropanamine
CID 103074435
N-[2-(oxan-2-ylmethoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074448

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexyloxymethyl)prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-(cyclohexyloxymethyl)prop-2-enyl]cyclopropanamine (CID 103074323) is N-[2-(cyclohexyloxymethyl)prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-(cyclohexyloxymethyl)prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-(cyclohexyloxymethyl)prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)COC1CCCCC1.
What is the InChIKey of N-[2-(cyclohexyloxymethyl)prop-2-enyl]cyclopropanamine?
The InChIKey is SCXXDLGUASFEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-11(9-14-12-7-8-12)10-15-13-5-3-2-4-6-13/h12-14H,1-10H2.
What are the key properties of N-[2-(cyclohexyloxymethyl)prop-2-enyl]cyclopropanamine?
N-[2-(cyclohexyloxymethyl)prop-2-enyl]cyclopropanamine has a molecular weight of 209.33 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexyloxymethyl)prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103074323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).