(1R)-2-N-[(4-tert-butylcyclohexyl)methyl]cyclohexane-1,2-diamine

C17H34N2 — CID 89490526

IUPAC(1R)-2-N-[(4-tert-butylcyclohexyl)methyl]cyclohexane-1,2-diamine
SMILESCC(C)(C)C1CCC(CNC2CCCC[C@H]2N)CC1
InChIInChI=1S/C17H34N2/c1-17(2,3)14-10-8-13(9-11-14)12-19-16-7-5-4-6-15(16)18/h13-16,19H,4-12,18H2,1-3H3/t13?,14?,15-,16?/m1/s1
InChIKeyMGOGTLIORIOHHF-MYLOQMAZSA-N
MW266.47 g/mol
LogP3.70
Rot. Bonds3

About (1R)-2-N-[(4-tert-butylcyclohexyl)methyl]cyclohexane-1,2-diamine

(1R)-2-N-[(4-tert-butylcyclohexyl)methyl]cyclohexane-1,2-diamine (PubChem CID 89490526) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is (1R)-2-N-[(4-tert-butylcyclohexyl)methyl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Name(1R)-2-N-[(4-tert-butylcyclohexyl)methyl]cyclohexane-1,2-diamine
PubChem CID89490526
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name(1R)-2-N-[(4-tert-butylcyclohexyl)methyl]cyclohexane-1,2-diamine
SMILESCC(C)(C)C1CCC(CNC2CCCC[C@H]2N)CC1
InChIInChI=1S/C17H34N2/c1-17(2,3)14-10-8-13(9-11-14)12-19-16-7-5-4-6-15(16)18/h13-16,19H,4-12,18H2,1-3H3/t13?,14?,15-,16?/m1/s1
InChIKeyMGOGTLIORIOHHF-MYLOQMAZSA-N
XLogP3.70
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-N-[(4-tert-butylcyclohexyl)methyl]cyclohexane-1,2-diamine?
The IUPAC name of (1R)-2-N-[(4-tert-butylcyclohexyl)methyl]cyclohexane-1,2-diamine (CID 89490526) is (1R)-2-N-[(4-tert-butylcyclohexyl)methyl]cyclohexane-1,2-diamine.
What is the SMILES notation for (1R)-2-N-[(4-tert-butylcyclohexyl)methyl]cyclohexane-1,2-diamine?
The canonical SMILES for (1R)-2-N-[(4-tert-butylcyclohexyl)methyl]cyclohexane-1,2-diamine is CC(C)(C)C1CCC(CNC2CCCC[C@H]2N)CC1.
What is the InChIKey of (1R)-2-N-[(4-tert-butylcyclohexyl)methyl]cyclohexane-1,2-diamine?
The InChIKey is MGOGTLIORIOHHF-MYLOQMAZSA-N. The full InChI is InChI=1S/C17H34N2/c1-17(2,3)14-10-8-13(9-11-14)12-19-16-7-5-4-6-15(16)18/h13-16,19H,4-12,18H2,1-3H3/t13?,14?,15-,16?/m1/s1.
What are the key properties of (1R)-2-N-[(4-tert-butylcyclohexyl)methyl]cyclohexane-1,2-diamine?
(1R)-2-N-[(4-tert-butylcyclohexyl)methyl]cyclohexane-1,2-diamine has a molecular weight of 266.47 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-N-[(4-tert-butylcyclohexyl)methyl]cyclohexane-1,2-diamine is sourced from PubChem (CID 89490526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).