(4-but-3-enylcyclohexen-1-yl)-(cyclohexylamino)methanol

C17H29NO — CID 89078278

IUPAC(4-but-3-enylcyclohexen-1-yl)-(cyclohexylamino)methanol
SMILESC=CCCC1CC=C(C(O)NC2CCCCC2)CC1
InChIInChI=1S/C17H29NO/c1-2-3-7-14-10-12-15(13-11-14)17(19)18-16-8-5-4-6-9-16/h2,12,14,16-19H,1,3-11,13H2
InChIKeyKHZLMPZFPLLFQA-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.92
Rot. Bonds6

About (4-but-3-enylcyclohexen-1-yl)-(cyclohexylamino)methanol

(4-but-3-enylcyclohexen-1-yl)-(cyclohexylamino)methanol (PubChem CID 89078278) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is (4-but-3-enylcyclohexen-1-yl)-(cyclohexylamino)methanol.

Molecular Properties

Compound Name(4-but-3-enylcyclohexen-1-yl)-(cyclohexylamino)methanol
PubChem CID89078278
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name(4-but-3-enylcyclohexen-1-yl)-(cyclohexylamino)methanol
SMILESC=CCCC1CC=C(C(O)NC2CCCCC2)CC1
InChIInChI=1S/C17H29NO/c1-2-3-7-14-10-12-15(13-11-14)17(19)18-16-8-5-4-6-9-16/h2,12,14,16-19H,1,3-11,13H2
InChIKeyKHZLMPZFPLLFQA-UHFFFAOYSA-N
XLogP3.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-but-3-enylcyclohexen-1-yl)-(cyclohexylamino)methanol?
The IUPAC name of (4-but-3-enylcyclohexen-1-yl)-(cyclohexylamino)methanol (CID 89078278) is (4-but-3-enylcyclohexen-1-yl)-(cyclohexylamino)methanol.
What is the SMILES notation for (4-but-3-enylcyclohexen-1-yl)-(cyclohexylamino)methanol?
The canonical SMILES for (4-but-3-enylcyclohexen-1-yl)-(cyclohexylamino)methanol is C=CCCC1CC=C(C(O)NC2CCCCC2)CC1.
What is the InChIKey of (4-but-3-enylcyclohexen-1-yl)-(cyclohexylamino)methanol?
The InChIKey is KHZLMPZFPLLFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-2-3-7-14-10-12-15(13-11-14)17(19)18-16-8-5-4-6-9-16/h2,12,14,16-19H,1,3-11,13H2.
What are the key properties of (4-but-3-enylcyclohexen-1-yl)-(cyclohexylamino)methanol?
(4-but-3-enylcyclohexen-1-yl)-(cyclohexylamino)methanol has a molecular weight of 263.43 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-but-3-enylcyclohexen-1-yl)-(cyclohexylamino)methanol is sourced from PubChem (CID 89078278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).