1-N-(3-methoxypropyl)cyclohexane-1,3-diamine

C10H22N2O — CID 79458917

IUPAC1-N-(3-methoxypropyl)cyclohexane-1,3-diamine
SMILESCOCCCNC1CCCC(N)C1
InChIInChI=1S/C10H22N2O/c1-13-7-3-6-12-10-5-2-4-9(11)8-10/h9-10,12H,2-8,11H2,1H3
InChIKeyKBOHOAKZAMFZFD-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.88
Rot. Bonds5

About 1-N-(3-methoxypropyl)cyclohexane-1,3-diamine

1-N-(3-methoxypropyl)cyclohexane-1,3-diamine (PubChem CID 79458917) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-N-(3-methoxypropyl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-(3-methoxypropyl)cyclohexane-1,3-diamine
PubChem CID79458917
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1-N-(3-methoxypropyl)cyclohexane-1,3-diamine
SMILESCOCCCNC1CCCC(N)C1
InChIInChI=1S/C10H22N2O/c1-13-7-3-6-12-10-5-2-4-9(11)8-10/h9-10,12H,2-8,11H2,1H3
InChIKeyKBOHOAKZAMFZFD-UHFFFAOYSA-N
XLogP0.88
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.88
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

1-N-(3-cyclohexyloxypropyl)cyclohexane-1,3-diamine
CID 79458447
1-N-(4-propan-2-yloxybutyl)cyclohexane-1,3-diamine
CID 106007565
1-N-propylcyclohexane-1,3-diamine
CID 22026573
1-N-(3-methylsulfanylpropyl)cyclohexane-1,3-diamine
CID 79459469
5-[(3-aminocyclohexyl)amino]pentan-1-ol
CID 107316668
6-[(3-aminocyclohexyl)amino]hexan-1-ol
CID 107848750
methyl 3-[(3-aminocyclohexyl)amino]propanoate
CID 79458540
5-[(3-aminocyclohexyl)amino]pentan-2-ol
CID 106121477
1-N-pent-4-ynylcyclohexane-1,3-diamine
CID 106220280
2-[(3-aminocyclohexyl)amino]ethanol
CID 79459217
2-[(3-aminocyclohexyl)amino]ethyl carbamate
CID 83202906
N-(5-methoxypentyl)cyclooctanamine
CID 115714847

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methoxypropyl)cyclohexane-1,3-diamine?
The IUPAC name of 1-N-(3-methoxypropyl)cyclohexane-1,3-diamine (CID 79458917) is 1-N-(3-methoxypropyl)cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-(3-methoxypropyl)cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-(3-methoxypropyl)cyclohexane-1,3-diamine is COCCCNC1CCCC(N)C1.
What is the InChIKey of 1-N-(3-methoxypropyl)cyclohexane-1,3-diamine?
The InChIKey is KBOHOAKZAMFZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-13-7-3-6-12-10-5-2-4-9(11)8-10/h9-10,12H,2-8,11H2,1H3.
What are the key properties of 1-N-(3-methoxypropyl)cyclohexane-1,3-diamine?
1-N-(3-methoxypropyl)cyclohexane-1,3-diamine has a molecular weight of 186.30 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methoxypropyl)cyclohexane-1,3-diamine is sourced from PubChem (CID 79458917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).