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

C17H34N2 — CID 55002114

IUPAC4-tert-butyl-2-N-cyclopropyl-2-N-(2-methylpropyl)cyclohexane-1,2-diamine
SMILESCC(C)CN(C1CC1)C1CC(C(C)(C)C)CCC1N
InChIInChI=1S/C17H34N2/c1-12(2)11-19(14-7-8-14)16-10-13(17(3,4)5)6-9-15(16)18/h12-16H,6-11,18H2,1-5H3
InChIKeyYVDWYPUXEDJLNV-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.65
Rot. Bonds4

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

4-tert-butyl-2-N-cyclopropyl-2-N-(2-methylpropyl)cyclohexane-1,2-diamine (PubChem CID 55002114) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 4-tert-butyl-2-N-cyclopropyl-2-N-(2-methylpropyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name4-tert-butyl-2-N-cyclopropyl-2-N-(2-methylpropyl)cyclohexane-1,2-diamine
PubChem CID55002114
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name4-tert-butyl-2-N-cyclopropyl-2-N-(2-methylpropyl)cyclohexane-1,2-diamine
SMILESCC(C)CN(C1CC1)C1CC(C(C)(C)C)CCC1N
InChIInChI=1S/C17H34N2/c1-12(2)11-19(14-7-8-14)16-10-13(17(3,4)5)6-9-15(16)18/h12-16H,6-11,18H2,1-5H3
InChIKeyYVDWYPUXEDJLNV-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-butyl-4-tert-butyl-2-N-cyclopropylcyclohexane-1,2-diamine
CID 63469947
2-(aminomethyl)-N-cyclopropyl-N-(2-methylpropyl)cyclobutan-1-amine
CID 80999541
4-tert-butyl-2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine
CID 78943997
2-(aminomethyl)-N-cyclopropyl-N-(2-methylpropyl)cycloheptan-1-amine
CID 55002106
3-N-cyclopropyl-3-N-(2-methylpropyl)cyclopentane-1,3-diamine
CID 79468759
2-N-cyclopropyl-4-ethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine
CID 78974066
2-(aminomethyl)-N-cyclopropyl-5-ethyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 55002153
4-tert-butyl-2-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexan-1-ol
CID 63487546
2-(aminomethyl)-5-tert-butyl-N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexan-1-amine
CID 63404054
2-(aminomethyl)-5-tert-butyl-N-methyl-N-propan-2-ylcyclohexan-1-amine
CID 43293395
2-(aminomethyl)-5-tert-butyl-N-(3,3-dimethylbutan-2-yl)-N-methylcyclohexan-1-amine
CID 63404415
4-tert-butyl-2-(propan-2-yloxymethyl)cyclohexan-1-amine
CID 81013975

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-N-cyclopropyl-2-N-(2-methylpropyl)cyclohexane-1,2-diamine?
The IUPAC name of 4-tert-butyl-2-N-cyclopropyl-2-N-(2-methylpropyl)cyclohexane-1,2-diamine (CID 55002114) is 4-tert-butyl-2-N-cyclopropyl-2-N-(2-methylpropyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 4-tert-butyl-2-N-cyclopropyl-2-N-(2-methylpropyl)cyclohexane-1,2-diamine?
The canonical SMILES for 4-tert-butyl-2-N-cyclopropyl-2-N-(2-methylpropyl)cyclohexane-1,2-diamine is CC(C)CN(C1CC1)C1CC(C(C)(C)C)CCC1N.
What is the InChIKey of 4-tert-butyl-2-N-cyclopropyl-2-N-(2-methylpropyl)cyclohexane-1,2-diamine?
The InChIKey is YVDWYPUXEDJLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-12(2)11-19(14-7-8-14)16-10-13(17(3,4)5)6-9-15(16)18/h12-16H,6-11,18H2,1-5H3.
What are the key properties of 4-tert-butyl-2-N-cyclopropyl-2-N-(2-methylpropyl)cyclohexane-1,2-diamine?
4-tert-butyl-2-N-cyclopropyl-2-N-(2-methylpropyl)cyclohexane-1,2-diamine has a molecular weight of 266.47 g/mol, XLogP of 3.65, 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-cyclopropyl-2-N-(2-methylpropyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 55002114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).