(E)-2-cyclohexyl-3-(5-methyloxolan-2-yl)-N-propylprop-2-en-1-amine

C17H31NO — CID 82839275

IUPAC(E)-2-cyclohexyl-3-(5-methyloxolan-2-yl)-N-propylprop-2-en-1-amine
SMILESCCCNC/C(=C/C1CCC(C)O1)C1CCCCC1
InChIInChI=1S/C17H31NO/c1-3-11-18-13-16(15-7-5-4-6-8-15)12-17-10-9-14(2)19-17/h12,14-15,17-18H,3-11,13H2,1-2H3/b16-12-
InChIKeyGEBOYKDCUIAHRC-VBKFSLOCSA-N
MW265.44 g/mol
LogP4.06
Rot. Bonds6

About (E)-2-cyclohexyl-3-(5-methyloxolan-2-yl)-N-propylprop-2-en-1-amine

(E)-2-cyclohexyl-3-(5-methyloxolan-2-yl)-N-propylprop-2-en-1-amine (PubChem CID 82839275) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is (E)-2-cyclohexyl-3-(5-methyloxolan-2-yl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-cyclohexyl-3-(5-methyloxolan-2-yl)-N-propylprop-2-en-1-amine
PubChem CID82839275
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name(E)-2-cyclohexyl-3-(5-methyloxolan-2-yl)-N-propylprop-2-en-1-amine
SMILESCCCNC/C(=C/C1CCC(C)O1)C1CCCCC1
InChIInChI=1S/C17H31NO/c1-3-11-18-13-16(15-7-5-4-6-8-15)12-17-10-9-14(2)19-17/h12,14-15,17-18H,3-11,13H2,1-2H3/b16-12-
InChIKeyGEBOYKDCUIAHRC-VBKFSLOCSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyclohexyl-3-(5-methyloxolan-2-yl)-N-propylprop-2-en-1-amine?
The IUPAC name of (E)-2-cyclohexyl-3-(5-methyloxolan-2-yl)-N-propylprop-2-en-1-amine (CID 82839275) is (E)-2-cyclohexyl-3-(5-methyloxolan-2-yl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for (E)-2-cyclohexyl-3-(5-methyloxolan-2-yl)-N-propylprop-2-en-1-amine?
The canonical SMILES for (E)-2-cyclohexyl-3-(5-methyloxolan-2-yl)-N-propylprop-2-en-1-amine is CCCNC/C(=C/C1CCC(C)O1)C1CCCCC1.
What is the InChIKey of (E)-2-cyclohexyl-3-(5-methyloxolan-2-yl)-N-propylprop-2-en-1-amine?
The InChIKey is GEBOYKDCUIAHRC-VBKFSLOCSA-N. The full InChI is InChI=1S/C17H31NO/c1-3-11-18-13-16(15-7-5-4-6-8-15)12-17-10-9-14(2)19-17/h12,14-15,17-18H,3-11,13H2,1-2H3/b16-12-.
What are the key properties of (E)-2-cyclohexyl-3-(5-methyloxolan-2-yl)-N-propylprop-2-en-1-amine?
(E)-2-cyclohexyl-3-(5-methyloxolan-2-yl)-N-propylprop-2-en-1-amine has a molecular weight of 265.44 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyclohexyl-3-(5-methyloxolan-2-yl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 82839275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).