(E)-N-tert-butyl-2-cyclohexyl-5-methoxy-4-methylpent-2-en-1-amine

C17H33NO — CID 116503541

IUPAC(E)-N-tert-butyl-2-cyclohexyl-5-methoxy-4-methylpent-2-en-1-amine
SMILESCOCC(C)/C=C(/CNC(C)(C)C)C1CCCCC1
InChIInChI=1S/C17H33NO/c1-14(13-19-5)11-16(12-18-17(2,3)4)15-9-7-6-8-10-15/h11,14-15,18H,6-10,12-13H2,1-5H3/b16-11-
InChIKeyYWHXZVCMJUMQBQ-WJDWOHSUSA-N
MW267.46 g/mol
LogP4.16
Rot. Bonds6

About (E)-N-tert-butyl-2-cyclohexyl-5-methoxy-4-methylpent-2-en-1-amine

(E)-N-tert-butyl-2-cyclohexyl-5-methoxy-4-methylpent-2-en-1-amine (PubChem CID 116503541) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is (E)-N-tert-butyl-2-cyclohexyl-5-methoxy-4-methylpent-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-tert-butyl-2-cyclohexyl-5-methoxy-4-methylpent-2-en-1-amine
PubChem CID116503541
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name(E)-N-tert-butyl-2-cyclohexyl-5-methoxy-4-methylpent-2-en-1-amine
SMILESCOCC(C)/C=C(/CNC(C)(C)C)C1CCCCC1
InChIInChI=1S/C17H33NO/c1-14(13-19-5)11-16(12-18-17(2,3)4)15-9-7-6-8-10-15/h11,14-15,18H,6-10,12-13H2,1-5H3/b16-11-
InChIKeyYWHXZVCMJUMQBQ-WJDWOHSUSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.16
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 (E)-N-tert-butyl-2-cyclohexyl-5-methoxy-4-methylpent-2-en-1-amine?
The IUPAC name of (E)-N-tert-butyl-2-cyclohexyl-5-methoxy-4-methylpent-2-en-1-amine (CID 116503541) is (E)-N-tert-butyl-2-cyclohexyl-5-methoxy-4-methylpent-2-en-1-amine.
What is the SMILES notation for (E)-N-tert-butyl-2-cyclohexyl-5-methoxy-4-methylpent-2-en-1-amine?
The canonical SMILES for (E)-N-tert-butyl-2-cyclohexyl-5-methoxy-4-methylpent-2-en-1-amine is COCC(C)/C=C(/CNC(C)(C)C)C1CCCCC1.
What is the InChIKey of (E)-N-tert-butyl-2-cyclohexyl-5-methoxy-4-methylpent-2-en-1-amine?
The InChIKey is YWHXZVCMJUMQBQ-WJDWOHSUSA-N. The full InChI is InChI=1S/C17H33NO/c1-14(13-19-5)11-16(12-18-17(2,3)4)15-9-7-6-8-10-15/h11,14-15,18H,6-10,12-13H2,1-5H3/b16-11-.
What are the key properties of (E)-N-tert-butyl-2-cyclohexyl-5-methoxy-4-methylpent-2-en-1-amine?
(E)-N-tert-butyl-2-cyclohexyl-5-methoxy-4-methylpent-2-en-1-amine has a molecular weight of 267.46 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-2-cyclohexyl-5-methoxy-4-methylpent-2-en-1-amine is sourced from PubChem (CID 116503541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).