(Z,2R,3R,4S)-2-[(2-ethylcyclohexyl)amino]-3,4-dimethylhept-5-en-1-ol

C17H33NO — CID 163660005

IUPAC(Z,2R,3R,4S)-2-[(2-ethylcyclohexyl)amino]-3,4-dimethylhept-5-en-1-ol
SMILESC/C=C\[C@H](C)[C@@H](C)[C@H](CO)NC1CCCCC1CC
InChIInChI=1S/C17H33NO/c1-5-9-13(3)14(4)17(12-19)18-16-11-8-7-10-15(16)6-2/h5,9,13-19H,6-8,10-12H2,1-4H3/b9-5-/t13-,14+,15?,16?,17-/m0/s1
InChIKeyITOSVCNUBMSUSU-UTZUJSMPSA-N
MW267.46 g/mol
LogP3.75
Rot. Bonds7

About (Z,2R,3R,4S)-2-[(2-ethylcyclohexyl)amino]-3,4-dimethylhept-5-en-1-ol

(Z,2R,3R,4S)-2-[(2-ethylcyclohexyl)amino]-3,4-dimethylhept-5-en-1-ol (PubChem CID 163660005) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is (Z,2R,3R,4S)-2-[(2-ethylcyclohexyl)amino]-3,4-dimethylhept-5-en-1-ol.

Molecular Properties

Compound Name(Z,2R,3R,4S)-2-[(2-ethylcyclohexyl)amino]-3,4-dimethylhept-5-en-1-ol
PubChem CID163660005
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name(Z,2R,3R,4S)-2-[(2-ethylcyclohexyl)amino]-3,4-dimethylhept-5-en-1-ol
SMILESC/C=C\[C@H](C)[C@@H](C)[C@H](CO)NC1CCCCC1CC
InChIInChI=1S/C17H33NO/c1-5-9-13(3)14(4)17(12-19)18-16-11-8-7-10-15(16)6-2/h5,9,13-19H,6-8,10-12H2,1-4H3/b9-5-/t13-,14+,15?,16?,17-/m0/s1
InChIKeyITOSVCNUBMSUSU-UTZUJSMPSA-N
XLogP3.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
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 (Z,2R,3R,4S)-2-[(2-ethylcyclohexyl)amino]-3,4-dimethylhept-5-en-1-ol?
The IUPAC name of (Z,2R,3R,4S)-2-[(2-ethylcyclohexyl)amino]-3,4-dimethylhept-5-en-1-ol (CID 163660005) is (Z,2R,3R,4S)-2-[(2-ethylcyclohexyl)amino]-3,4-dimethylhept-5-en-1-ol.
What is the SMILES notation for (Z,2R,3R,4S)-2-[(2-ethylcyclohexyl)amino]-3,4-dimethylhept-5-en-1-ol?
The canonical SMILES for (Z,2R,3R,4S)-2-[(2-ethylcyclohexyl)amino]-3,4-dimethylhept-5-en-1-ol is C/C=C\[C@H](C)[C@@H](C)[C@H](CO)NC1CCCCC1CC.
What is the InChIKey of (Z,2R,3R,4S)-2-[(2-ethylcyclohexyl)amino]-3,4-dimethylhept-5-en-1-ol?
The InChIKey is ITOSVCNUBMSUSU-UTZUJSMPSA-N. The full InChI is InChI=1S/C17H33NO/c1-5-9-13(3)14(4)17(12-19)18-16-11-8-7-10-15(16)6-2/h5,9,13-19H,6-8,10-12H2,1-4H3/b9-5-/t13-,14+,15?,16?,17-/m0/s1.
What are the key properties of (Z,2R,3R,4S)-2-[(2-ethylcyclohexyl)amino]-3,4-dimethylhept-5-en-1-ol?
(Z,2R,3R,4S)-2-[(2-ethylcyclohexyl)amino]-3,4-dimethylhept-5-en-1-ol has a molecular weight of 267.46 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R,3R,4S)-2-[(2-ethylcyclohexyl)amino]-3,4-dimethylhept-5-en-1-ol is sourced from PubChem (CID 163660005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).