4-tert-butyl-2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine

C19H38N2 — CID 78943997

IUPAC4-tert-butyl-2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine
SMILESCNC1CCC(C(C)(C)C)CC1N(CCC(C)C)C1CC1
InChIInChI=1S/C19H38N2/c1-14(2)11-12-21(16-8-9-16)18-13-15(19(3,4)5)7-10-17(18)20-6/h14-18,20H,7-13H2,1-6H3
InChIKeyQNKLFTHNWKONLX-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.30
Rot. Bonds6

About 4-tert-butyl-2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine

4-tert-butyl-2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine (PubChem CID 78943997) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 4-tert-butyl-2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name4-tert-butyl-2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine
PubChem CID78943997
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name4-tert-butyl-2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine
SMILESCNC1CCC(C(C)(C)C)CC1N(CCC(C)C)C1CC1
InChIInChI=1S/C19H38N2/c1-14(2)11-12-21(16-8-9-16)18-13-15(19(3,4)5)7-10-17(18)20-6/h14-18,20H,7-13H2,1-6H3
InChIKeyQNKLFTHNWKONLX-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine?
The IUPAC name of 4-tert-butyl-2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine (CID 78943997) is 4-tert-butyl-2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 4-tert-butyl-2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine?
The canonical SMILES for 4-tert-butyl-2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine is CNC1CCC(C(C)(C)C)CC1N(CCC(C)C)C1CC1.
What is the InChIKey of 4-tert-butyl-2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine?
The InChIKey is QNKLFTHNWKONLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-14(2)11-12-21(16-8-9-16)18-13-15(19(3,4)5)7-10-17(18)20-6/h14-18,20H,7-13H2,1-6H3.
What are the key properties of 4-tert-butyl-2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine?
4-tert-butyl-2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine has a molecular weight of 294.53 g/mol, XLogP of 4.30, 6 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-1-N-methyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 78943997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).