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

C14H30N2O — CID 103390009

IUPAC4-N-(2,4-dimethylcyclohexyl)-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)NC1CCC(C)CC1C
InChIInChI=1S/C14H30N2O/c1-11-6-7-14(12(2)9-11)16-13(10-17-3)5-4-8-15/h11-14,16H,4-10,15H2,1-3H3
InChIKeyQVSMPQDQXSQHAQ-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.15
Rot. Bonds7

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

4-N-(2,4-dimethylcyclohexyl)-5-methoxypentane-1,4-diamine (PubChem CID 103390009) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 4-N-(2,4-dimethylcyclohexyl)-5-methoxypentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(2,4-dimethylcyclohexyl)-5-methoxypentane-1,4-diamine
PubChem CID103390009
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name4-N-(2,4-dimethylcyclohexyl)-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)NC1CCC(C)CC1C
InChIInChI=1S/C14H30N2O/c1-11-6-7-14(12(2)9-11)16-13(10-17-3)5-4-8-15/h11-14,16H,4-10,15H2,1-3H3
InChIKeyQVSMPQDQXSQHAQ-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methoxyhexan-2-yl)-2-methylcyclopropan-1-amine
CID 115716811
2,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine
CID 63993685
5-methoxy-4-N-(oxan-4-yl)pentane-1,4-diamine
CID 103387909
5-methoxy-4-N-(4-methylsulfanylcyclohexyl)pentane-1,4-diamine
CID 114122602
5-methoxy-4-N-[(2-methylcyclopentyl)methyl]pentane-1,4-diamine
CID 107417216
4-N-(2,2-dimethylcyclohexyl)-5-methoxypentane-1,4-diamine
CID 103390345
4-N-(cyclohexylmethyl)-5-methoxypentane-1,4-diamine
CID 103387807
2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclobutane-1-carboxylic acid
CID 106162234
2,4-dimethyl-N-octan-2-ylcyclohexan-1-amine
CID 63994075
4-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentane-1,4-diamine
CID 103389461
5-methoxy-4-N-pentan-2-ylpentane-1,4-diamine
CID 103387026
N-(1-methoxyhexan-2-yl)cyclopentanamine
CID 115704960

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dimethylcyclohexyl)-5-methoxypentane-1,4-diamine?
The IUPAC name of 4-N-(2,4-dimethylcyclohexyl)-5-methoxypentane-1,4-diamine (CID 103390009) is 4-N-(2,4-dimethylcyclohexyl)-5-methoxypentane-1,4-diamine.
What is the SMILES notation for 4-N-(2,4-dimethylcyclohexyl)-5-methoxypentane-1,4-diamine?
The canonical SMILES for 4-N-(2,4-dimethylcyclohexyl)-5-methoxypentane-1,4-diamine is COCC(CCCN)NC1CCC(C)CC1C.
What is the InChIKey of 4-N-(2,4-dimethylcyclohexyl)-5-methoxypentane-1,4-diamine?
The InChIKey is QVSMPQDQXSQHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-11-6-7-14(12(2)9-11)16-13(10-17-3)5-4-8-15/h11-14,16H,4-10,15H2,1-3H3.
What are the key properties of 4-N-(2,4-dimethylcyclohexyl)-5-methoxypentane-1,4-diamine?
4-N-(2,4-dimethylcyclohexyl)-5-methoxypentane-1,4-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dimethylcyclohexyl)-5-methoxypentane-1,4-diamine is sourced from PubChem (CID 103390009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).