N-[(2E)-2-(2-tert-butyliminoethylidene)hexyl]cyclohexanamine

C18H34N2 — CID 10333808

IUPACN-[(2E)-2-(2-tert-butyliminoethylidene)hexyl]cyclohexanamine
SMILESCCCC/C(=C\C=N\C(C)(C)C)CNC1CCCCC1
InChIInChI=1S/C18H34N2/c1-5-6-10-16(13-14-20-18(2,3)4)15-19-17-11-8-7-9-12-17/h13-14,17,19H,5-12,15H2,1-4H3/b16-13+,20-14+
InChIKeyZTRWGTTXEKKGKS-FNBOUAQFSA-N
MW278.48 g/mol
LogP4.89
Rot. Bonds7

About N-[(2E)-2-(2-tert-butyliminoethylidene)hexyl]cyclohexanamine

N-[(2E)-2-(2-tert-butyliminoethylidene)hexyl]cyclohexanamine (PubChem CID 10333808) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is N-[(2E)-2-(2-tert-butyliminoethylidene)hexyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(2E)-2-(2-tert-butyliminoethylidene)hexyl]cyclohexanamine
PubChem CID10333808
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC NameN-[(2E)-2-(2-tert-butyliminoethylidene)hexyl]cyclohexanamine
SMILESCCCC/C(=C\C=N\C(C)(C)C)CNC1CCCCC1
InChIInChI=1S/C18H34N2/c1-5-6-10-16(13-14-20-18(2,3)4)15-19-17-11-8-7-9-12-17/h13-14,17,19H,5-12,15H2,1-4H3/b16-13+,20-14+
InChIKeyZTRWGTTXEKKGKS-FNBOUAQFSA-N
XLogP4.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 54.89
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

N-[(Z)-4-(tert-butyliminomethyl)hex-3-en-3-yl]cyclohexanamine
CID 135002744
N-[(E)-1-tert-butyliminohept-2-en-3-yl]cyclohexanamine
CID 12065549
N-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]ethanamine
CID 89030889
N-[1-[2-(ethylamino)ethylimino]propan-2-yl]-2,8-dimethyldeca-2,7-dien-4-amine
CID 123688446
3-(2,3-dihydropyridin-4-yl)-N-methylpropan-1-amine
CID 123947708
N-[(2-methyl-3,4-dihydro-2H-azepin-5-yl)methyl]prop-1-en-2-amine
CID 129016785
(3Z)-N-tert-butyl-3-ethylidene-4-(3-methylbutan-2-ylimino)hexan-1-amine
CID 134504879
(E)-N-tert-butyl-2-(cyclohex-2-en-1-yliminomethyl)hex-1-en-1-amine
CID 142907377
Cyclohexyl-[2-[(4-methylcyclohex-3-en-1-yl)amino]ethylidene]azanium
CID 144552770
(E)-N-ethyl-3-piperidin-2-ylpent-2-en-1-imine
CID 145285267
1-(2,3-dihydropyridin-4-yl)-N-methylethanamine
CID 148929760
N-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]propan-2-amine
CID 156187529

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-2-(2-tert-butyliminoethylidene)hexyl]cyclohexanamine?
The IUPAC name of N-[(2E)-2-(2-tert-butyliminoethylidene)hexyl]cyclohexanamine (CID 10333808) is N-[(2E)-2-(2-tert-butyliminoethylidene)hexyl]cyclohexanamine.
What is the SMILES notation for N-[(2E)-2-(2-tert-butyliminoethylidene)hexyl]cyclohexanamine?
The canonical SMILES for N-[(2E)-2-(2-tert-butyliminoethylidene)hexyl]cyclohexanamine is CCCC/C(=C\C=N\C(C)(C)C)CNC1CCCCC1.
What is the InChIKey of N-[(2E)-2-(2-tert-butyliminoethylidene)hexyl]cyclohexanamine?
The InChIKey is ZTRWGTTXEKKGKS-FNBOUAQFSA-N. The full InChI is InChI=1S/C18H34N2/c1-5-6-10-16(13-14-20-18(2,3)4)15-19-17-11-8-7-9-12-17/h13-14,17,19H,5-12,15H2,1-4H3/b16-13+,20-14+.
What are the key properties of N-[(2E)-2-(2-tert-butyliminoethylidene)hexyl]cyclohexanamine?
N-[(2E)-2-(2-tert-butyliminoethylidene)hexyl]cyclohexanamine has a molecular weight of 278.48 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-2-(2-tert-butyliminoethylidene)hexyl]cyclohexanamine is sourced from PubChem (CID 10333808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).