1-N,4-N-ditert-butylcyclohexane-1,4-diamine

C14H30N2 — CID 59732223

IUPAC1-N,4-N-ditert-butylcyclohexane-1,4-diamine
SMILESCC(C)(C)NC1CCC(NC(C)(C)C)CC1
InChIInChI=1S/C14H30N2/c1-13(2,3)15-11-7-9-12(10-8-11)16-14(4,5)6/h11-12,15-16H,7-10H2,1-6H3
InChIKeyNLQNFSMFQBCSAV-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.07
Rot. Bonds2

About 1-N,4-N-ditert-butylcyclohexane-1,4-diamine

1-N,4-N-ditert-butylcyclohexane-1,4-diamine (PubChem CID 59732223) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-N,4-N-ditert-butylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-ditert-butylcyclohexane-1,4-diamine
PubChem CID59732223
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-N,4-N-ditert-butylcyclohexane-1,4-diamine
SMILESCC(C)(C)NC1CCC(NC(C)(C)C)CC1
InChIInChI=1S/C14H30N2/c1-13(2,3)15-11-7-9-12(10-8-11)16-14(4,5)6/h11-12,15-16H,7-10H2,1-6H3
InChIKeyNLQNFSMFQBCSAV-UHFFFAOYSA-N
XLogP3.07
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-ditert-butylcyclohexane-1,4-diamine?
The IUPAC name of 1-N,4-N-ditert-butylcyclohexane-1,4-diamine (CID 59732223) is 1-N,4-N-ditert-butylcyclohexane-1,4-diamine.
What is the SMILES notation for 1-N,4-N-ditert-butylcyclohexane-1,4-diamine?
The canonical SMILES for 1-N,4-N-ditert-butylcyclohexane-1,4-diamine is CC(C)(C)NC1CCC(NC(C)(C)C)CC1.
What is the InChIKey of 1-N,4-N-ditert-butylcyclohexane-1,4-diamine?
The InChIKey is NLQNFSMFQBCSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-13(2,3)15-11-7-9-12(10-8-11)16-14(4,5)6/h11-12,15-16H,7-10H2,1-6H3.
What are the key properties of 1-N,4-N-ditert-butylcyclohexane-1,4-diamine?
1-N,4-N-ditert-butylcyclohexane-1,4-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-ditert-butylcyclohexane-1,4-diamine is sourced from PubChem (CID 59732223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).