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

C17H31NO — CID 82837153

IUPACN-[(E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-enyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NC/C(=C/C1CCCO1)C1CCCCC1
InChIInChI=1S/C17H31NO/c1-17(2,3)18-13-15(12-16-10-7-11-19-16)14-8-5-4-6-9-14/h12,14,16,18H,4-11,13H2,1-3H3/b15-12-
InChIKeyYGLYFMOJTDDJPS-QINSGFPZSA-N
MW265.44 g/mol
LogP4.06
Rot. Bonds4

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

N-[(E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-enyl]-2-methylpropan-2-amine (PubChem CID 82837153) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[(E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-enyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-enyl]-2-methylpropan-2-amine
PubChem CID82837153
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-[(E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-enyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NC/C(=C/C1CCCO1)C1CCCCC1
InChIInChI=1S/C17H31NO/c1-17(2,3)18-13-15(12-16-10-7-11-19-16)14-8-5-4-6-9-14/h12,14,16,18H,4-11,13H2,1-3H3/b15-12-
InChIKeyYGLYFMOJTDDJPS-QINSGFPZSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.06
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]-2-methylpropan-2-amine?
The IUPAC name of N-[(E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-enyl]-2-methylpropan-2-amine (CID 82837153) is N-[(E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-enyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-enyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-enyl]-2-methylpropan-2-amine is CC(C)(C)NC/C(=C/C1CCCO1)C1CCCCC1.
What is the InChIKey of N-[(E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-enyl]-2-methylpropan-2-amine?
The InChIKey is YGLYFMOJTDDJPS-QINSGFPZSA-N. The full InChI is InChI=1S/C17H31NO/c1-17(2,3)18-13-15(12-16-10-7-11-19-16)14-8-5-4-6-9-14/h12,14,16,18H,4-11,13H2,1-3H3/b15-12-.
What are the key properties of N-[(E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-enyl]-2-methylpropan-2-amine?
N-[(E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-enyl]-2-methylpropan-2-amine has a molecular weight of 265.44 g/mol, XLogP of 4.06, 4 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]-2-methylpropan-2-amine is sourced from PubChem (CID 82837153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).