5-methoxy-1-N-(1-methylcyclopentyl)pentane-1,2-diamine

C12H26N2O — CID 81102527

IUPAC5-methoxy-1-N-(1-methylcyclopentyl)pentane-1,2-diamine
SMILESCOCCCC(N)CNC1(C)CCCC1
InChIInChI=1S/C12H26N2O/c1-12(7-3-4-8-12)14-10-11(13)6-5-9-15-2/h11,14H,3-10,13H2,1-2H3
InChIKeyQLQZMESWQJWWRE-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.66
Rot. Bonds7

About 5-methoxy-1-N-(1-methylcyclopentyl)pentane-1,2-diamine

5-methoxy-1-N-(1-methylcyclopentyl)pentane-1,2-diamine (PubChem CID 81102527) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 5-methoxy-1-N-(1-methylcyclopentyl)pentane-1,2-diamine.

Molecular Properties

Compound Name5-methoxy-1-N-(1-methylcyclopentyl)pentane-1,2-diamine
PubChem CID81102527
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name5-methoxy-1-N-(1-methylcyclopentyl)pentane-1,2-diamine
SMILESCOCCCC(N)CNC1(C)CCCC1
InChIInChI=1S/C12H26N2O/c1-12(7-3-4-8-12)14-10-11(13)6-5-9-15-2/h11,14H,3-10,13H2,1-2H3
InChIKeyQLQZMESWQJWWRE-UHFFFAOYSA-N
XLogP1.66
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-1-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,2-diamine
CID 81101419
N-[2-(3-methoxypropoxy)ethyl]-1-methylcyclopentan-1-amine
CID 103178720
2-methyl-1-N-(1-methylcyclopentyl)heptane-1,6-diamine
CID 65296202
N-(4-methoxybutan-2-yl)-1-methylcyclopentan-1-amine
CID 115595180
N-(2-methoxyethyl)-N'-(1-methylcyclopentyl)ethane-1,2-diamine
CID 79290465
2-methyl-N-(1-methylcyclohexyl)pentane-1,5-diamine
CID 104682093
5-methoxy-1-N-octylpentane-1,2-diamine
CID 113337399
1-methoxyheptan-4-amine
CID 43370439
1-(1-amino-4-methoxybutyl)-N,N-dimethylcycloheptan-1-amine
CID 114856330
N-[3-(2-methoxyethoxy)propyl]-1-methylcyclobutan-1-amine
CID 103409682
[4-methoxy-1-(2-methyloxan-2-yl)butyl]hydrazine
CID 105256209
1-methoxy-7-methyloctan-4-amine
CID 62603924

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-N-(1-methylcyclopentyl)pentane-1,2-diamine?
The IUPAC name of 5-methoxy-1-N-(1-methylcyclopentyl)pentane-1,2-diamine (CID 81102527) is 5-methoxy-1-N-(1-methylcyclopentyl)pentane-1,2-diamine.
What is the SMILES notation for 5-methoxy-1-N-(1-methylcyclopentyl)pentane-1,2-diamine?
The canonical SMILES for 5-methoxy-1-N-(1-methylcyclopentyl)pentane-1,2-diamine is COCCCC(N)CNC1(C)CCCC1.
What is the InChIKey of 5-methoxy-1-N-(1-methylcyclopentyl)pentane-1,2-diamine?
The InChIKey is QLQZMESWQJWWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(7-3-4-8-12)14-10-11(13)6-5-9-15-2/h11,14H,3-10,13H2,1-2H3.
What are the key properties of 5-methoxy-1-N-(1-methylcyclopentyl)pentane-1,2-diamine?
5-methoxy-1-N-(1-methylcyclopentyl)pentane-1,2-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-N-(1-methylcyclopentyl)pentane-1,2-diamine is sourced from PubChem (CID 81102527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).