N-(furan-2-ylmethyl)-1-prop-2-enylcyclohexan-1-amine

C14H21NO — CID 601150

IUPACN-(furan-2-ylmethyl)-1-prop-2-enylcyclohexan-1-amine
SMILESC=CCC1(NCc2ccco2)CCCCC1
InChIInChI=1S/C14H21NO/c1-2-8-14(9-4-3-5-10-14)15-12-13-7-6-11-16-13/h2,6-7,11,15H,1,3-5,8-10,12H2
InChIKeyNVTFIRHTMPPACV-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.65
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-prop-2-enylcyclohexan-1-amine

N-(furan-2-ylmethyl)-1-prop-2-enylcyclohexan-1-amine (PubChem CID 601150) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-prop-2-enylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-prop-2-enylcyclohexan-1-amine
PubChem CID601150
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-(furan-2-ylmethyl)-1-prop-2-enylcyclohexan-1-amine
SMILESC=CCC1(NCc2ccco2)CCCCC1
InChIInChI=1S/C14H21NO/c1-2-8-14(9-4-3-5-10-14)15-12-13-7-6-11-16-13/h2,6-7,11,15H,1,3-5,8-10,12H2
InChIKeyNVTFIRHTMPPACV-UHFFFAOYSA-N
XLogP3.65
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(furan-2-ylmethyl)-1-prop-2-enylcyclohexan-1-amine?
The IUPAC name of N-(furan-2-ylmethyl)-1-prop-2-enylcyclohexan-1-amine (CID 601150) is N-(furan-2-ylmethyl)-1-prop-2-enylcyclohexan-1-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-prop-2-enylcyclohexan-1-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-prop-2-enylcyclohexan-1-amine is C=CCC1(NCc2ccco2)CCCCC1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-prop-2-enylcyclohexan-1-amine?
The InChIKey is NVTFIRHTMPPACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-8-14(9-4-3-5-10-14)15-12-13-7-6-11-16-13/h2,6-7,11,15H,1,3-5,8-10,12H2.
What are the key properties of N-(furan-2-ylmethyl)-1-prop-2-enylcyclohexan-1-amine?
N-(furan-2-ylmethyl)-1-prop-2-enylcyclohexan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-prop-2-enylcyclohexan-1-amine is sourced from PubChem (CID 601150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).