4-tert-butyl-2-N-cyclohexyl-2-N-ethyl-1-N-methylcyclohexane-1,2-diamine

C19H38N2 — CID 63464756

IUPAC4-tert-butyl-2-N-cyclohexyl-2-N-ethyl-1-N-methylcyclohexane-1,2-diamine
SMILESCCN(C1CCCCC1)C1CC(C(C)(C)C)CCC1NC
InChIInChI=1S/C19H38N2/c1-6-21(16-10-8-7-9-11-16)18-14-15(19(2,3)4)12-13-17(18)20-5/h15-18,20H,6-14H2,1-5H3
InChIKeyWEERHTRCBUREHZ-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.44
Rot. Bonds4

About 4-tert-butyl-2-N-cyclohexyl-2-N-ethyl-1-N-methylcyclohexane-1,2-diamine

4-tert-butyl-2-N-cyclohexyl-2-N-ethyl-1-N-methylcyclohexane-1,2-diamine (PubChem CID 63464756) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 4-tert-butyl-2-N-cyclohexyl-2-N-ethyl-1-N-methylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name4-tert-butyl-2-N-cyclohexyl-2-N-ethyl-1-N-methylcyclohexane-1,2-diamine
PubChem CID63464756
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name4-tert-butyl-2-N-cyclohexyl-2-N-ethyl-1-N-methylcyclohexane-1,2-diamine
SMILESCCN(C1CCCCC1)C1CC(C(C)(C)C)CCC1NC
InChIInChI=1S/C19H38N2/c1-6-21(16-10-8-7-9-11-16)18-14-15(19(2,3)4)12-13-17(18)20-5/h15-18,20H,6-14H2,1-5H3
InChIKeyWEERHTRCBUREHZ-UHFFFAOYSA-N
XLogP4.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-cyclohexyl-2-N-ethyl-1-N-methyl-4-propylcyclohexane-1,2-diamine
CID 63465286
2-N-cyclopropyl-2-N-ethyl-1-N-methylcyclododecane-1,2-diamine
CID 63465935
4-tert-butyl-2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine
CID 78943997
4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine
CID 63483791
4-tert-butyl-1-N,2-N-dimethyl-2-N-pentylcyclohexane-1,2-diamine
CID 63467911
2-N,2-N-diethyl-1-N-methylcyclododecane-1,2-diamine
CID 63466542
4-tert-butyl-2-N-(cyclopentylmethyl)-1-N-ethyl-2-N-methylcyclohexane-1,2-diamine
CID 63633145
2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine
CID 63956178
2-[[butan-2-yl(ethyl)amino]methyl]-4-tert-butyl-N-methylcyclohexan-1-amine
CID 63483811
2-N-butyl-2-N-ethyl-1-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine
CID 63466038
2-butyl-4-tert-butyl-N-methylcyclohexan-1-amine
CID 63401093
4-tert-butyl-2-N-(cyclopropylmethyl)-1-N,2-N-diethylcyclohexane-1,2-diamine
CID 63955959

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-N-cyclohexyl-2-N-ethyl-1-N-methylcyclohexane-1,2-diamine?
The IUPAC name of 4-tert-butyl-2-N-cyclohexyl-2-N-ethyl-1-N-methylcyclohexane-1,2-diamine (CID 63464756) is 4-tert-butyl-2-N-cyclohexyl-2-N-ethyl-1-N-methylcyclohexane-1,2-diamine.
What is the SMILES notation for 4-tert-butyl-2-N-cyclohexyl-2-N-ethyl-1-N-methylcyclohexane-1,2-diamine?
The canonical SMILES for 4-tert-butyl-2-N-cyclohexyl-2-N-ethyl-1-N-methylcyclohexane-1,2-diamine is CCN(C1CCCCC1)C1CC(C(C)(C)C)CCC1NC.
What is the InChIKey of 4-tert-butyl-2-N-cyclohexyl-2-N-ethyl-1-N-methylcyclohexane-1,2-diamine?
The InChIKey is WEERHTRCBUREHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-6-21(16-10-8-7-9-11-16)18-14-15(19(2,3)4)12-13-17(18)20-5/h15-18,20H,6-14H2,1-5H3.
What are the key properties of 4-tert-butyl-2-N-cyclohexyl-2-N-ethyl-1-N-methylcyclohexane-1,2-diamine?
4-tert-butyl-2-N-cyclohexyl-2-N-ethyl-1-N-methylcyclohexane-1,2-diamine has a molecular weight of 294.53 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-N-cyclohexyl-2-N-ethyl-1-N-methylcyclohexane-1,2-diamine is sourced from PubChem (CID 63464756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).