4-N-(2,2-dimethylcyclohexyl)-5-methoxypentane-1,4-diamine

C14H30N2O — CID 103390345

IUPAC4-N-(2,2-dimethylcyclohexyl)-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)NC1CCCCC1(C)C
InChIInChI=1S/C14H30N2O/c1-14(2)9-5-4-8-13(14)16-12(11-17-3)7-6-10-15/h12-13,16H,4-11,15H2,1-3H3
InChIKeyAGOPRHCJHJJYRG-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.30
Rot. Bonds7

About 4-N-(2,2-dimethylcyclohexyl)-5-methoxypentane-1,4-diamine

4-N-(2,2-dimethylcyclohexyl)-5-methoxypentane-1,4-diamine (PubChem CID 103390345) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 4-N-(2,2-dimethylcyclohexyl)-5-methoxypentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(2,2-dimethylcyclohexyl)-5-methoxypentane-1,4-diamine
PubChem CID103390345
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name4-N-(2,2-dimethylcyclohexyl)-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)NC1CCCCC1(C)C
InChIInChI=1S/C14H30N2O/c1-14(2)9-5-4-8-13(14)16-12(11-17-3)7-6-10-15/h12-13,16H,4-11,15H2,1-3H3
InChIKeyAGOPRHCJHJJYRG-UHFFFAOYSA-N
XLogP2.30
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dimethylcyclohexyl)-5-methoxypentane-1,4-diamine?
The IUPAC name of 4-N-(2,2-dimethylcyclohexyl)-5-methoxypentane-1,4-diamine (CID 103390345) is 4-N-(2,2-dimethylcyclohexyl)-5-methoxypentane-1,4-diamine.
What is the SMILES notation for 4-N-(2,2-dimethylcyclohexyl)-5-methoxypentane-1,4-diamine?
The canonical SMILES for 4-N-(2,2-dimethylcyclohexyl)-5-methoxypentane-1,4-diamine is COCC(CCCN)NC1CCCCC1(C)C.
What is the InChIKey of 4-N-(2,2-dimethylcyclohexyl)-5-methoxypentane-1,4-diamine?
The InChIKey is AGOPRHCJHJJYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-14(2)9-5-4-8-13(14)16-12(11-17-3)7-6-10-15/h12-13,16H,4-11,15H2,1-3H3.
What are the key properties of 4-N-(2,2-dimethylcyclohexyl)-5-methoxypentane-1,4-diamine?
4-N-(2,2-dimethylcyclohexyl)-5-methoxypentane-1,4-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dimethylcyclohexyl)-5-methoxypentane-1,4-diamine is sourced from PubChem (CID 103390345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).