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

C16H27NO — CID 82836811

IUPACN-[(E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-enyl]cyclopropanamine
SMILESC(=C(/CNC1CC1)C1CCCCC1)\C1CCCO1
InChIInChI=1S/C16H27NO/c1-2-5-13(6-3-1)14(12-17-15-8-9-15)11-16-7-4-10-18-16/h11,13,15-17H,1-10,12H2/b14-11-
InChIKeyGYELFVVSNQSQGS-KAMYIIQDSA-N
MW249.40 g/mol
LogP3.42
Rot. Bonds5

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

N-[(E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-enyl]cyclopropanamine (PubChem CID 82836811) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[(E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-enyl]cyclopropanamine
PubChem CID82836811
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[(E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-enyl]cyclopropanamine
SMILESC(=C(/CNC1CC1)C1CCCCC1)\C1CCCO1
InChIInChI=1S/C16H27NO/c1-2-5-13(6-3-1)14(12-17-15-8-9-15)11-16-7-4-10-18-16/h11,13,15-17H,1-10,12H2/b14-11-
InChIKeyGYELFVVSNQSQGS-KAMYIIQDSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.42
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-(oxolan-2-yl)prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[(E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-enyl]cyclopropanamine (CID 82836811) is N-[(E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[(E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[(E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-enyl]cyclopropanamine is C(=C(/CNC1CC1)C1CCCCC1)\C1CCCO1.
What is the InChIKey of N-[(E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-enyl]cyclopropanamine?
The InChIKey is GYELFVVSNQSQGS-KAMYIIQDSA-N. The full InChI is InChI=1S/C16H27NO/c1-2-5-13(6-3-1)14(12-17-15-8-9-15)11-16-7-4-10-18-16/h11,13,15-17H,1-10,12H2/b14-11-.
What are the key properties of N-[(E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-enyl]cyclopropanamine?
N-[(E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-enyl]cyclopropanamine has a molecular weight of 249.40 g/mol, XLogP of 3.42, 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-(oxolan-2-yl)prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 82836811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).