4-N-(3,3-dimethylbutyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine

C14H30N2 — CID 79122136

IUPAC4-N-(3,3-dimethylbutyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)CCC(C)(C)C)CC1
InChIInChI=1S/C14H30N2/c1-14(2,3)10-11-16(5)13-8-6-12(15-4)7-9-13/h12-13,15H,6-11H2,1-5H3
InChIKeyPIRJRZMJDROEDY-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.88
Rot. Bonds4

About 4-N-(3,3-dimethylbutyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine

4-N-(3,3-dimethylbutyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine (PubChem CID 79122136) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 4-N-(3,3-dimethylbutyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(3,3-dimethylbutyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
PubChem CID79122136
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name4-N-(3,3-dimethylbutyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)CCC(C)(C)C)CC1
InChIInChI=1S/C14H30N2/c1-14(2,3)10-11-16(5)13-8-6-12(15-4)7-9-13/h12-13,15H,6-11H2,1-5H3
InChIKeyPIRJRZMJDROEDY-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3,3-dimethylbutyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(3,3-dimethylbutyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine (CID 79122136) is 4-N-(3,3-dimethylbutyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(3,3-dimethylbutyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(3,3-dimethylbutyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine is CNC1CCC(N(C)CCC(C)(C)C)CC1.
What is the InChIKey of 4-N-(3,3-dimethylbutyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The InChIKey is PIRJRZMJDROEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-14(2,3)10-11-16(5)13-8-6-12(15-4)7-9-13/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 4-N-(3,3-dimethylbutyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine?
4-N-(3,3-dimethylbutyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,3-dimethylbutyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine is sourced from PubChem (CID 79122136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).