4-N-tert-butyl-1-N-(2-ethylbutyl)cyclohexane-1,4-diamine

C16H34N2 — CID 58707411

IUPAC4-N-tert-butyl-1-N-(2-ethylbutyl)cyclohexane-1,4-diamine
SMILESCCC(CC)CNC1CCC(NC(C)(C)C)CC1
InChIInChI=1S/C16H34N2/c1-6-13(7-2)12-17-14-8-10-15(11-9-14)18-16(3,4)5/h13-15,17-18H,6-12H2,1-5H3
InChIKeyNDGYPXPPXLUZQQ-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.71
Rot. Bonds6

About 4-N-tert-butyl-1-N-(2-ethylbutyl)cyclohexane-1,4-diamine

4-N-tert-butyl-1-N-(2-ethylbutyl)cyclohexane-1,4-diamine (PubChem CID 58707411) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 4-N-tert-butyl-1-N-(2-ethylbutyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-1-N-(2-ethylbutyl)cyclohexane-1,4-diamine
PubChem CID58707411
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name4-N-tert-butyl-1-N-(2-ethylbutyl)cyclohexane-1,4-diamine
SMILESCCC(CC)CNC1CCC(NC(C)(C)C)CC1
InChIInChI=1S/C16H34N2/c1-6-13(7-2)12-17-14-8-10-15(11-9-14)18-16(3,4)5/h13-15,17-18H,6-12H2,1-5H3
InChIKeyNDGYPXPPXLUZQQ-UHFFFAOYSA-N
XLogP3.71
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclohexylbutyl-[(1R)-2-methyl-1-[[[(1S)-1-(methylaminomethyl)pentyl]amino]methyl]propyl]amine
CID 24793490
(R)-N1-methyl-N2-((R)-2-((4-methylcyclohexyl)methylamino)pentyl)pentane-1,2-diamine
CID 45482187
1-N,4-N-bis[4-(ethylamino)butyl]cyclohexane-1,4-diamine
CID 15407935
N-(3-Methylbutyl)cyclohexylamine
CID 121660
1,4-Cyclohexanebis(methylamine), N,N'-bis(tert-butyl)-, dihydrochloride, (E)-
CID 77556
2,4-Pentanediamine, N4-cyclohexyl-2-methyl-N2-(2-methylpropyl)-
CID 107030
N-(2-methylbutyl)cyclohexanamine
CID 43200591
Cyclohexanemethanamine, alpha-methyl-N-octyl-, (R)-
CID 81384579
N-[[4-[(tert-butylamino)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 77557
2,4,4-trimethyl-N-[[4-[(2,4,4-trimethylpentan-2-ylamino)methyl]cyclohexyl]methyl]pentan-2-amine
CID 102038
N~1~-[(1S)-1-Cyclohexylethyl]-N~2~-undecylethane-1,2-diamine
CID 16076543
2-N-[2-(4-cyclohexylbutylamino)-3-methylbutyl]-1-N-methylhexane-1,2-diamine
CID 73758710

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-1-N-(2-ethylbutyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-tert-butyl-1-N-(2-ethylbutyl)cyclohexane-1,4-diamine (CID 58707411) is 4-N-tert-butyl-1-N-(2-ethylbutyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-tert-butyl-1-N-(2-ethylbutyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-tert-butyl-1-N-(2-ethylbutyl)cyclohexane-1,4-diamine is CCC(CC)CNC1CCC(NC(C)(C)C)CC1.
What is the InChIKey of 4-N-tert-butyl-1-N-(2-ethylbutyl)cyclohexane-1,4-diamine?
The InChIKey is NDGYPXPPXLUZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-13(7-2)12-17-14-8-10-15(11-9-14)18-16(3,4)5/h13-15,17-18H,6-12H2,1-5H3.
What are the key properties of 4-N-tert-butyl-1-N-(2-ethylbutyl)cyclohexane-1,4-diamine?
4-N-tert-butyl-1-N-(2-ethylbutyl)cyclohexane-1,4-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-1-N-(2-ethylbutyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 58707411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).