4-N-(cyclohexylmethyl)-5-methoxypentane-1,4-diamine

C13H28N2O — CID 103387807

IUPAC4-N-(cyclohexylmethyl)-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)NCC1CCCCC1
InChIInChI=1S/C13H28N2O/c1-16-11-13(8-5-9-14)15-10-12-6-3-2-4-7-12/h12-13,15H,2-11,14H2,1H3
InChIKeyZOBUDPGDRXRFQD-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.91
Rot. Bonds8

About 4-N-(cyclohexylmethyl)-5-methoxypentane-1,4-diamine

4-N-(cyclohexylmethyl)-5-methoxypentane-1,4-diamine (PubChem CID 103387807) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-N-(cyclohexylmethyl)-5-methoxypentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(cyclohexylmethyl)-5-methoxypentane-1,4-diamine
PubChem CID103387807
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name4-N-(cyclohexylmethyl)-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)NCC1CCCCC1
InChIInChI=1S/C13H28N2O/c1-16-11-13(8-5-9-14)15-10-12-6-3-2-4-7-12/h12-13,15H,2-11,14H2,1H3
InChIKeyZOBUDPGDRXRFQD-UHFFFAOYSA-N
XLogP1.91
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-4-N-[(2-methylcyclopentyl)methyl]pentane-1,4-diamine
CID 107417216
2-[[(5-amino-1-methoxypentan-2-yl)amino]methyl]cyclopentan-1-ol
CID 103390240
tert-butyl N-[4-(cyclopentylmethylamino)-5-methoxypentyl]carbamate
CID 103387806
4-N-(2,2-dimethylcyclohexyl)-5-methoxypentane-1,4-diamine
CID 103390345
5-methoxy-4-N-[4-(2-methoxyethoxy)butyl]pentane-1,4-diamine
CID 103390928
5-methoxy-4-N-[2-(2-methoxyethoxy)ethyl]pentane-1,4-diamine
CID 103389661
5-methoxy-4-N-(oxan-4-yl)pentane-1,4-diamine
CID 103387909
N-(2-cyclobutylethyl)-1-methoxyhexan-2-amine
CID 115893443
3-[(5-amino-1-methoxypentan-2-yl)amino]propane-1,2-diol
CID 103390268
4-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentane-1,4-diamine
CID 103389461
5-methoxy-4-N-(4-methylsulfanylcyclohexyl)pentane-1,4-diamine
CID 114122602
4-N-[2-(dimethylamino)-2-methylpropyl]-5-methoxypentane-1,4-diamine
CID 103387429

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclohexylmethyl)-5-methoxypentane-1,4-diamine?
The IUPAC name of 4-N-(cyclohexylmethyl)-5-methoxypentane-1,4-diamine (CID 103387807) is 4-N-(cyclohexylmethyl)-5-methoxypentane-1,4-diamine.
What is the SMILES notation for 4-N-(cyclohexylmethyl)-5-methoxypentane-1,4-diamine?
The canonical SMILES for 4-N-(cyclohexylmethyl)-5-methoxypentane-1,4-diamine is COCC(CCCN)NCC1CCCCC1.
What is the InChIKey of 4-N-(cyclohexylmethyl)-5-methoxypentane-1,4-diamine?
The InChIKey is ZOBUDPGDRXRFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-16-11-13(8-5-9-14)15-10-12-6-3-2-4-7-12/h12-13,15H,2-11,14H2,1H3.
What are the key properties of 4-N-(cyclohexylmethyl)-5-methoxypentane-1,4-diamine?
4-N-(cyclohexylmethyl)-5-methoxypentane-1,4-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclohexylmethyl)-5-methoxypentane-1,4-diamine is sourced from PubChem (CID 103387807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).