4-N-tert-butyl-1-N-propan-2-ylcyclohexane-1,4-diamine

C13H28N2 — CID 58707400

IUPAC4-N-tert-butyl-1-N-propan-2-ylcyclohexane-1,4-diamine
SMILESCC(C)NC1CCC(NC(C)(C)C)CC1
InChIInChI=1S/C13H28N2/c1-10(2)14-11-6-8-12(9-7-11)15-13(3,4)5/h10-12,14-15H,6-9H2,1-5H3
InChIKeyRKSGHIQHHSKCAE-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.68
Rot. Bonds3

About 4-N-tert-butyl-1-N-propan-2-ylcyclohexane-1,4-diamine

4-N-tert-butyl-1-N-propan-2-ylcyclohexane-1,4-diamine (PubChem CID 58707400) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 4-N-tert-butyl-1-N-propan-2-ylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-1-N-propan-2-ylcyclohexane-1,4-diamine
PubChem CID58707400
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name4-N-tert-butyl-1-N-propan-2-ylcyclohexane-1,4-diamine
SMILESCC(C)NC1CCC(NC(C)(C)C)CC1
InChIInChI=1S/C13H28N2/c1-10(2)14-11-6-8-12(9-7-11)15-13(3,4)5/h10-12,14-15H,6-9H2,1-5H3
InChIKeyRKSGHIQHHSKCAE-UHFFFAOYSA-N
XLogP2.68
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-1-N-propan-2-ylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-tert-butyl-1-N-propan-2-ylcyclohexane-1,4-diamine (CID 58707400) is 4-N-tert-butyl-1-N-propan-2-ylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-tert-butyl-1-N-propan-2-ylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-tert-butyl-1-N-propan-2-ylcyclohexane-1,4-diamine is CC(C)NC1CCC(NC(C)(C)C)CC1.
What is the InChIKey of 4-N-tert-butyl-1-N-propan-2-ylcyclohexane-1,4-diamine?
The InChIKey is RKSGHIQHHSKCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-10(2)14-11-6-8-12(9-7-11)15-13(3,4)5/h10-12,14-15H,6-9H2,1-5H3.
What are the key properties of 4-N-tert-butyl-1-N-propan-2-ylcyclohexane-1,4-diamine?
4-N-tert-butyl-1-N-propan-2-ylcyclohexane-1,4-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-1-N-propan-2-ylcyclohexane-1,4-diamine is sourced from PubChem (CID 58707400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).