N-[2-[(2-methylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine

C14H25NO — CID 103074409

IUPACN-[2-[(2-methylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COC1CCCCC1C
InChIInChI=1S/C14H25NO/c1-11(9-15-13-7-8-13)10-16-14-6-4-3-5-12(14)2/h12-15H,1,3-10H2,2H3
InChIKeyXNFHHVJWVNUQLK-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.89
Rot. Bonds6

About N-[2-[(2-methylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine

N-[2-[(2-methylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine (PubChem CID 103074409) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[2-[(2-methylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(2-methylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine
PubChem CID103074409
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-[2-[(2-methylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COC1CCCCC1C
InChIInChI=1S/C14H25NO/c1-11(9-15-13-7-8-13)10-16-14-6-4-3-5-12(14)2/h12-15H,1,3-10H2,2H3
InChIKeyXNFHHVJWVNUQLK-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.89
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

N-[3-(2-methylcyclohexyl)oxypropyl]cyclopropanamine
CID 62445101
N-[2-(cyclohexyloxymethyl)prop-2-enyl]cyclopropanamine
CID 103074323
2-(cyclohexyloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074324
N-ethyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074395
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-tert-butyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074398
2-[(4-methylcyclohexyl)oxymethyl]-N-propylprop-2-en-1-amine
CID 103074399
N-methyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074401
N-ethyl-2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074402
N-[2-[(2-ethylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine
CID 103074403
N-tert-butyl-2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074404

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-[(2-methylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine (CID 103074409) is N-[2-[(2-methylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(2-methylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-[(2-methylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)COC1CCCCC1C.
What is the InChIKey of N-[2-[(2-methylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine?
The InChIKey is XNFHHVJWVNUQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-11(9-15-13-7-8-13)10-16-14-6-4-3-5-12(14)2/h12-15H,1,3-10H2,2H3.
What are the key properties of N-[2-[(2-methylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine?
N-[2-[(2-methylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine has a molecular weight of 223.36 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103074409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).