(E)-2-cyclohexyl-3-(oxolan-2-yl)-N-propan-2-ylprop-2-en-1-amine

C16H29NO — CID 82837040

IUPAC(E)-2-cyclohexyl-3-(oxolan-2-yl)-N-propan-2-ylprop-2-en-1-amine
SMILESCC(C)NC/C(=C/C1CCCO1)C1CCCCC1
InChIInChI=1S/C16H29NO/c1-13(2)17-12-15(11-16-9-6-10-18-16)14-7-4-3-5-8-14/h11,13-14,16-17H,3-10,12H2,1-2H3/b15-11-
InChIKeyNGIGYEKFMCFIQD-PTNGSMBKSA-N
MW251.41 g/mol
LogP3.67
Rot. Bonds5

About (E)-2-cyclohexyl-3-(oxolan-2-yl)-N-propan-2-ylprop-2-en-1-amine

(E)-2-cyclohexyl-3-(oxolan-2-yl)-N-propan-2-ylprop-2-en-1-amine (PubChem CID 82837040) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is (E)-2-cyclohexyl-3-(oxolan-2-yl)-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-cyclohexyl-3-(oxolan-2-yl)-N-propan-2-ylprop-2-en-1-amine
PubChem CID82837040
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name(E)-2-cyclohexyl-3-(oxolan-2-yl)-N-propan-2-ylprop-2-en-1-amine
SMILESCC(C)NC/C(=C/C1CCCO1)C1CCCCC1
InChIInChI=1S/C16H29NO/c1-13(2)17-12-15(11-16-9-6-10-18-16)14-7-4-3-5-8-14/h11,13-14,16-17H,3-10,12H2,1-2H3/b15-11-
InChIKeyNGIGYEKFMCFIQD-PTNGSMBKSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.67
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

2-[(4-Methoxycyclohex-2-en-1-yl)methyl]pyrrolidine
CID 58771865
(4S)-N-[1-(6-methoxycyclohexen-1-yl)ethyl]-4-methylcyclohex-2-en-1-amine
CID 68340677
(1S,5R,6R)-3-ethyl-N,6-dimethyl-5-pentan-3-yloxycyclohex-3-en-1-amine
CID 118097478
4-(4-butoxy-5-methylcyclohexa-1,5-dien-1-yl)-2-[(E)-hex-1-enyl]pyrrolidine
CID 141940455
N-[2-(3,5-dimethylcyclopent-2-en-1-yl)oxyethyl]-3,7,11-trimethyldodecan-1-amine
CID 144804938
4-[(2S)-1-(4-propan-2-yl-3,6-dihydro-2H-pyran-2-yl)propan-2-yl]-1,2,3,6-tetrahydropyridine
CID 156075396
7-methoxy-N-propyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-amine
CID 177783990
N-[cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 65156045
N-[cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 65156096
N-[cyclohexen-1-yl-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 79757908
N-[cyclohexen-1-yl-(2-methyloxolan-3-yl)methyl]ethanamine
CID 79760373
N-[(E)-2-cyclohexyl-3-(3,4-dihydro-2H-pyran-2-yl)prop-2-enyl]cyclopropanamine
CID 80402318

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyclohexyl-3-(oxolan-2-yl)-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of (E)-2-cyclohexyl-3-(oxolan-2-yl)-N-propan-2-ylprop-2-en-1-amine (CID 82837040) is (E)-2-cyclohexyl-3-(oxolan-2-yl)-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for (E)-2-cyclohexyl-3-(oxolan-2-yl)-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for (E)-2-cyclohexyl-3-(oxolan-2-yl)-N-propan-2-ylprop-2-en-1-amine is CC(C)NC/C(=C/C1CCCO1)C1CCCCC1.
What is the InChIKey of (E)-2-cyclohexyl-3-(oxolan-2-yl)-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is NGIGYEKFMCFIQD-PTNGSMBKSA-N. The full InChI is InChI=1S/C16H29NO/c1-13(2)17-12-15(11-16-9-6-10-18-16)14-7-4-3-5-8-14/h11,13-14,16-17H,3-10,12H2,1-2H3/b15-11-.
What are the key properties of (E)-2-cyclohexyl-3-(oxolan-2-yl)-N-propan-2-ylprop-2-en-1-amine?
(E)-2-cyclohexyl-3-(oxolan-2-yl)-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 251.41 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyclohexyl-3-(oxolan-2-yl)-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 82837040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).