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

C34H64N4 — CID 159640356

IUPACN-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine;(E)-N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine
SMILESCCCCC(/C=N/C1CCCCC1)=C\NC(C)(C)C.CCCCC(=CNC(C)(C)C)/C=N/C1CCCCC1
InChIInChI=1S/2C17H32N2/c2*1-5-6-10-15(14-19-17(2,3)4)13-18-16-11-8-7-9-12-16/h2*13-14,16,19H,5-12H2,1-4H3/b15-14?,18-13+;15-14+,18-13+
InChIKeyGUKPSZNQCJWTAW-VDUIRENQSA-N
MW528.91 g/mol
LogP9.70
Rot. Bonds12

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

N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine;(E)-N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine (PubChem CID 159640356) has the molecular formula C34H64N4 and a molecular weight of 528.91 g/mol. Its IUPAC name is N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine;(E)-N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine;(E)-N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine
PubChem CID159640356
Molecular FormulaC34H64N4
Molecular Weight528.91 g/mol
Exact Mass528.51
IUPAC NameN-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine;(E)-N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine
SMILESCCCCC(/C=N/C1CCCCC1)=C\NC(C)(C)C.CCCCC(=CNC(C)(C)C)/C=N/C1CCCCC1
InChIInChI=1S/2C17H32N2/c2*1-5-6-10-15(14-19-17(2,3)4)13-18-16-11-8-7-9-12-16/h2*13-14,16,19H,5-12H2,1-4H3/b15-14?,18-13+;15-14+,18-13+
InChIKeyGUKPSZNQCJWTAW-VDUIRENQSA-N
XLogP9.70
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.91
LogP ≤ 59.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine;(E)-N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine?
The IUPAC name of N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine;(E)-N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine (CID 159640356) is N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine;(E)-N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine;(E)-N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine?
The canonical SMILES for N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine;(E)-N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine is CCCCC(/C=N/C1CCCCC1)=C\NC(C)(C)C.CCCCC(=CNC(C)(C)C)/C=N/C1CCCCC1.
What is the InChIKey of N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine;(E)-N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine?
The InChIKey is GUKPSZNQCJWTAW-VDUIRENQSA-N. The full InChI is InChI=1S/2C17H32N2/c2*1-5-6-10-15(14-19-17(2,3)4)13-18-16-11-8-7-9-12-16/h2*13-14,16,19H,5-12H2,1-4H3/b15-14?,18-13+;15-14+,18-13+.
What are the key properties of N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine;(E)-N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine?
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 528.91 g/mol, XLogP of 9.70, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine;(E)-N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine is sourced from PubChem (CID 159640356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).