1-(3-methoxypropyl)cyclohexa-3,5-diene-1,2-diamine

C10H18N2O — CID 143109244

IUPAC1-(3-methoxypropyl)cyclohexa-3,5-diene-1,2-diamine
SMILESCOCCCC1(N)C=CC=CC1N
InChIInChI=1S/C10H18N2O/c1-13-8-4-7-10(12)6-3-2-5-9(10)11/h2-3,5-6,9H,4,7-8,11-12H2,1H3
InChIKeyNMFXTHDBVMCRNW-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.56
Rot. Bonds4

About 1-(3-methoxypropyl)cyclohexa-3,5-diene-1,2-diamine

1-(3-methoxypropyl)cyclohexa-3,5-diene-1,2-diamine (PubChem CID 143109244) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(3-methoxypropyl)cyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1-(3-methoxypropyl)cyclohexa-3,5-diene-1,2-diamine
PubChem CID143109244
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-(3-methoxypropyl)cyclohexa-3,5-diene-1,2-diamine
SMILESCOCCCC1(N)C=CC=CC1N
InChIInChI=1S/C10H18N2O/c1-13-8-4-7-10(12)6-3-2-5-9(10)11/h2-3,5-6,9H,4,7-8,11-12H2,1H3
InChIKeyNMFXTHDBVMCRNW-UHFFFAOYSA-N
XLogP0.56
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.56
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

(1S)-1-[(1R,2R)-2-amino-2-(3-methoxypropyl)cyclohexyl]ethanol
CID 11550281
7-(3-methoxypropyl)bicyclo[4.1.0]heptan-7-amine
CID 79331705
1-N,1-dimethylcyclohexa-3,5-diene-1,2-diamine
CID 152759950
1-(1,6-diaminocyclohexa-2,4-dien-1-yl)oxyethanol
CID 67208919
[1-(4-methoxybutyl)cyclopropyl]methanamine
CID 104649416
1-[1-(3-methoxypropyl)cyclopropyl]ethanamine
CID 106797370
N-[[1-(3-methoxypropyl)cyclopropyl]methyl]propan-2-amine
CID 66024015
2-(3-methoxypropyl)-1H-pyridine-2,5-diamine
CID 154193878
3-(3-methoxypropyl)-2-methyloxolan-3-amine
CID 114535363
[4-butyl-1-(3-methoxypropyl)cyclohexyl]methanamine
CID 62739053
1-(bromomethyl)-1-(3-methoxypropyl)-3-methylcyclobutane
CID 165442803
1-(1-amino-6-methylcyclohexa-2,4-dien-1-yl)propan-2-ol
CID 175234232

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)cyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 1-(3-methoxypropyl)cyclohexa-3,5-diene-1,2-diamine (CID 143109244) is 1-(3-methoxypropyl)cyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1-(3-methoxypropyl)cyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1-(3-methoxypropyl)cyclohexa-3,5-diene-1,2-diamine is COCCCC1(N)C=CC=CC1N.
What is the InChIKey of 1-(3-methoxypropyl)cyclohexa-3,5-diene-1,2-diamine?
The InChIKey is NMFXTHDBVMCRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-13-8-4-7-10(12)6-3-2-5-9(10)11/h2-3,5-6,9H,4,7-8,11-12H2,1H3.
What are the key properties of 1-(3-methoxypropyl)cyclohexa-3,5-diene-1,2-diamine?
1-(3-methoxypropyl)cyclohexa-3,5-diene-1,2-diamine has a molecular weight of 182.27 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)cyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 143109244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).