4-N-(3-methoxypropyl)cyclohexane-1,4-diamine

C10H22N2O — CID 79724008

IUPAC4-N-(3-methoxypropyl)cyclohexane-1,4-diamine
SMILESCOCCCNC1CCC(N)CC1
InChIInChI=1S/C10H22N2O/c1-13-8-2-7-12-10-5-3-9(11)4-6-10/h9-10,12H,2-8,11H2,1H3
InChIKeyYPKMBYVWOOAZEG-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.88
Rot. Bonds5

About 4-N-(3-methoxypropyl)cyclohexane-1,4-diamine

4-N-(3-methoxypropyl)cyclohexane-1,4-diamine (PubChem CID 79724008) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 4-N-(3-methoxypropyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-methoxypropyl)cyclohexane-1,4-diamine
PubChem CID79724008
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name4-N-(3-methoxypropyl)cyclohexane-1,4-diamine
SMILESCOCCCNC1CCC(N)CC1
InChIInChI=1S/C10H22N2O/c1-13-8-2-7-12-10-5-3-9(11)4-6-10/h9-10,12H,2-8,11H2,1H3
InChIKeyYPKMBYVWOOAZEG-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

N-(2-methoxyethyl)cyclohexanamine
CID 12687399
N-(3-Methoxypropyl)cyclohexanamine
CID 28674201
N-(3-methoxypropyl)cyclohexanamine hydrochloride
CID 138987566
Ethyl 3-(cyclohexylamino)propanimidate
CID 134890835
4-N-propyl-4-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane-1,4-diamine
CID 79111957
4-N-ethyl-4-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane-1,4-diamine
CID 79116150
4-N-methyl-1-N-propyl-4-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane-1,4-diamine
CID 79116763
4-N-methyl-4-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane-1,4-diamine
CID 79120857
1-N,4-N-dimethyl-4-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane-1,4-diamine
CID 79122822
1-N-ethyl-4-N-methyl-4-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane-1,4-diamine
CID 79122892
(1R,2R)-2-fluoro-N-[3-(propan-2-yloxy)propyl]cyclohexan-1-amine
CID 126847786
(1R,2R)-2-fluoro-N-(3-methoxypropyl)cyclohexan-1-amine
CID 126847788

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methoxypropyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(3-methoxypropyl)cyclohexane-1,4-diamine (CID 79724008) is 4-N-(3-methoxypropyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(3-methoxypropyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(3-methoxypropyl)cyclohexane-1,4-diamine is COCCCNC1CCC(N)CC1.
What is the InChIKey of 4-N-(3-methoxypropyl)cyclohexane-1,4-diamine?
The InChIKey is YPKMBYVWOOAZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-13-8-2-7-12-10-5-3-9(11)4-6-10/h9-10,12H,2-8,11H2,1H3.
What are the key properties of 4-N-(3-methoxypropyl)cyclohexane-1,4-diamine?
4-N-(3-methoxypropyl)cyclohexane-1,4-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 4-N-(3-methoxypropyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79724008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).