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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Related Compounds

4-N-(cyclohexylmethyl)-5-methoxypentane-1,4-diamine
CID 103387807
2-[(2,2-dimethylcyclohexyl)amino]propane-1,3-diol
CID 79836294
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
4-N-(2,4-dimethylcyclohexyl)-5-methoxypentane-1,4-diamine
CID 103390009
4-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentane-1,4-diamine
CID 103389461
N-(1-methoxyhexan-2-yl)cyclopentanamine
CID 115704960
3-[(2,2-dimethylcyclohexyl)amino]butan-1-ol
CID 81338842
tert-butyl N-[2-[(2,2-dimethylcyclohexyl)amino]hexyl]carbamate
CID 107256444
5-methoxy-4-N-[(2-methylcyclopentyl)methyl]pentane-1,4-diamine
CID 107417216
3-[(2,2-dimethylcyclohexyl)amino]pentanenitrile
CID 79836090
4-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-5-methoxypentane-1,4-diamine
CID 103388565

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).