N-[(E)-2-cyclohexyl-3-(5-methyloxolan-2-yl)prop-2-enyl]cyclopropanamine

C17H29NO — CID 82839107

IUPACN-[(E)-2-cyclohexyl-3-(5-methyloxolan-2-yl)prop-2-enyl]cyclopropanamine
SMILESCC1CCC(/C=C(/CNC2CC2)C2CCCCC2)O1
InChIInChI=1S/C17H29NO/c1-13-7-10-17(19-13)11-15(12-18-16-8-9-16)14-5-3-2-4-6-14/h11,13-14,16-18H,2-10,12H2,1H3/b15-11-
InChIKeyHWLSCWMBRSOVBM-PTNGSMBKSA-N
MW263.42 g/mol
LogP3.81
Rot. Bonds5

About N-[(E)-2-cyclohexyl-3-(5-methyloxolan-2-yl)prop-2-enyl]cyclopropanamine

N-[(E)-2-cyclohexyl-3-(5-methyloxolan-2-yl)prop-2-enyl]cyclopropanamine (PubChem CID 82839107) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N-[(E)-2-cyclohexyl-3-(5-methyloxolan-2-yl)prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(E)-2-cyclohexyl-3-(5-methyloxolan-2-yl)prop-2-enyl]cyclopropanamine
PubChem CID82839107
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN-[(E)-2-cyclohexyl-3-(5-methyloxolan-2-yl)prop-2-enyl]cyclopropanamine
SMILESCC1CCC(/C=C(/CNC2CC2)C2CCCCC2)O1
InChIInChI=1S/C17H29NO/c1-13-7-10-17(19-13)11-15(12-18-16-8-9-16)14-5-3-2-4-6-14/h11,13-14,16-18H,2-10,12H2,1H3/b15-11-
InChIKeyHWLSCWMBRSOVBM-PTNGSMBKSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.81
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-[(E)-2-cyclohexyl-3-(5-methyloxolan-2-yl)prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[(E)-2-cyclohexyl-3-(5-methyloxolan-2-yl)prop-2-enyl]cyclopropanamine (CID 82839107) is N-[(E)-2-cyclohexyl-3-(5-methyloxolan-2-yl)prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[(E)-2-cyclohexyl-3-(5-methyloxolan-2-yl)prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[(E)-2-cyclohexyl-3-(5-methyloxolan-2-yl)prop-2-enyl]cyclopropanamine is CC1CCC(/C=C(/CNC2CC2)C2CCCCC2)O1.
What is the InChIKey of N-[(E)-2-cyclohexyl-3-(5-methyloxolan-2-yl)prop-2-enyl]cyclopropanamine?
The InChIKey is HWLSCWMBRSOVBM-PTNGSMBKSA-N. The full InChI is InChI=1S/C17H29NO/c1-13-7-10-17(19-13)11-15(12-18-16-8-9-16)14-5-3-2-4-6-14/h11,13-14,16-18H,2-10,12H2,1H3/b15-11-.
What are the key properties of N-[(E)-2-cyclohexyl-3-(5-methyloxolan-2-yl)prop-2-enyl]cyclopropanamine?
N-[(E)-2-cyclohexyl-3-(5-methyloxolan-2-yl)prop-2-enyl]cyclopropanamine has a molecular weight of 263.42 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-cyclohexyl-3-(5-methyloxolan-2-yl)prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 82839107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).