4-tert-butyl-1-N,2-N-dimethyl-2-N-pentylcyclohexane-1,2-diamine

C17H36N2 — CID 63467911

IUPAC4-tert-butyl-1-N,2-N-dimethyl-2-N-pentylcyclohexane-1,2-diamine
SMILESCCCCCN(C)C1CC(C(C)(C)C)CCC1NC
InChIInChI=1S/C17H36N2/c1-7-8-9-12-19(6)16-13-14(17(2,3)4)10-11-15(16)18-5/h14-16,18H,7-13H2,1-6H3
InChIKeyABHGGPKUQMYEKF-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.91
Rot. Bonds6

About 4-tert-butyl-1-N,2-N-dimethyl-2-N-pentylcyclohexane-1,2-diamine

4-tert-butyl-1-N,2-N-dimethyl-2-N-pentylcyclohexane-1,2-diamine (PubChem CID 63467911) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 4-tert-butyl-1-N,2-N-dimethyl-2-N-pentylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name4-tert-butyl-1-N,2-N-dimethyl-2-N-pentylcyclohexane-1,2-diamine
PubChem CID63467911
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name4-tert-butyl-1-N,2-N-dimethyl-2-N-pentylcyclohexane-1,2-diamine
SMILESCCCCCN(C)C1CC(C(C)(C)C)CCC1NC
InChIInChI=1S/C17H36N2/c1-7-8-9-12-19(6)16-13-14(17(2,3)4)10-11-15(16)18-5/h14-16,18H,7-13H2,1-6H3
InChIKeyABHGGPKUQMYEKF-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-N,2-N-dimethyl-2-N-pentylcyclohexane-1,2-diamine?
The IUPAC name of 4-tert-butyl-1-N,2-N-dimethyl-2-N-pentylcyclohexane-1,2-diamine (CID 63467911) is 4-tert-butyl-1-N,2-N-dimethyl-2-N-pentylcyclohexane-1,2-diamine.
What is the SMILES notation for 4-tert-butyl-1-N,2-N-dimethyl-2-N-pentylcyclohexane-1,2-diamine?
The canonical SMILES for 4-tert-butyl-1-N,2-N-dimethyl-2-N-pentylcyclohexane-1,2-diamine is CCCCCN(C)C1CC(C(C)(C)C)CCC1NC.
What is the InChIKey of 4-tert-butyl-1-N,2-N-dimethyl-2-N-pentylcyclohexane-1,2-diamine?
The InChIKey is ABHGGPKUQMYEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-7-8-9-12-19(6)16-13-14(17(2,3)4)10-11-15(16)18-5/h14-16,18H,7-13H2,1-6H3.
What are the key properties of 4-tert-butyl-1-N,2-N-dimethyl-2-N-pentylcyclohexane-1,2-diamine?
4-tert-butyl-1-N,2-N-dimethyl-2-N-pentylcyclohexane-1,2-diamine has a molecular weight of 268.49 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-N,2-N-dimethyl-2-N-pentylcyclohexane-1,2-diamine is sourced from PubChem (CID 63467911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).