(E)-N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine

C17H32N2 — CID 10244583

IUPAC(E)-N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine
SMILESCCCCC(/C=N/C1CCCCC1)=C\NC(C)(C)C
InChIInChI=1S/C17H32N2/c1-5-6-10-15(14-19-17(2,3)4)13-18-16-11-8-7-9-12-16/h13-14,16,19H,5-12H2,1-4H3/b15-14+,18-13+
InChIKeyORHYOMGFRWZDQN-FHFAONFCSA-N
MW264.46 g/mol
LogP4.85
Rot. Bonds6

About (E)-N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine

(E)-N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine (PubChem CID 10244583) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is (E)-N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine
PubChem CID10244583
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name(E)-N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine
SMILESCCCCC(/C=N/C1CCCCC1)=C\NC(C)(C)C
InChIInChI=1S/C17H32N2/c1-5-6-10-15(14-19-17(2,3)4)13-18-16-11-8-7-9-12-16/h13-14,16,19H,5-12H2,1-4H3/b15-14+,18-13+
InChIKeyORHYOMGFRWZDQN-FHFAONFCSA-N
XLogP4.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-tert-butyl-2-(cyclohex-2-en-1-yliminomethyl)hex-1-en-1-amine
CID 142907377
N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine;(E)-N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine
CID 159640356
(Z)-N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine
CID 20762314
N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine
CID 73705292

Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine?
The IUPAC name of (E)-N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine (CID 10244583) is (E)-N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine.
What is the SMILES notation for (E)-N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine?
The canonical SMILES for (E)-N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine is CCCCC(/C=N/C1CCCCC1)=C\NC(C)(C)C.
What is the InChIKey of (E)-N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine?
The InChIKey is ORHYOMGFRWZDQN-FHFAONFCSA-N. The full InChI is InChI=1S/C17H32N2/c1-5-6-10-15(14-19-17(2,3)4)13-18-16-11-8-7-9-12-16/h13-14,16,19H,5-12H2,1-4H3/b15-14+,18-13+.
What are the key properties of (E)-N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine?
(E)-N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine has a molecular weight of 264.46 g/mol, XLogP of 4.85, 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-(cyclohexyliminomethyl)hex-1-en-1-amine is sourced from PubChem (CID 10244583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).