2-N-cyclohexyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine

C14H30N2O — CID 62557645

IUPAC2-N-cyclohexyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
SMILESCOCCCNCC(C)N(C)C1CCCCC1
InChIInChI=1S/C14H30N2O/c1-13(12-15-10-7-11-17-3)16(2)14-8-5-4-6-9-14/h13-15H,4-12H2,1-3H3
InChIKeyAZLQWBREOUVHSD-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.27
Rot. Bonds8

About 2-N-cyclohexyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine

2-N-cyclohexyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine (PubChem CID 62557645) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-N-cyclohexyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
PubChem CID62557645
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-N-cyclohexyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
SMILESCOCCCNCC(C)N(C)C1CCCCC1
InChIInChI=1S/C14H30N2O/c1-13(12-15-10-7-11-17-3)16(2)14-8-5-4-6-9-14/h13-15H,4-12H2,1-3H3
InChIKeyAZLQWBREOUVHSD-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-cyclopropyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62569883
2-N-cyclohexyl-2-N-methyl-1-N-pentylpropane-1,2-diamine
CID 62557476
2-N-cycloheptyl-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 62433683
2-N-cyclopropyl-2-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)propane-1,2-diamine
CID 62569230
N-cyclohexyl-2-(3-methoxypropylamino)-N-methylacetamide
CID 54829340
2-N-butyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62558502
N-(cyclohexylmethyl)-3-methoxypropan-1-amine
CID 17207140
1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 63966558
2-N-cyclopropyl-2-N-methyl-1-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,2-diamine
CID 114133320
2-N-ethyl-1-N-(3-methoxypropyl)-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine
CID 55087706
N',N'-dicyclohexyl-N-(2-methoxyethyl)propane-1,3-diamine
CID 63027895
2-N-cyclobutyl-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103227279

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-cyclohexyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine (CID 62557645) is 2-N-cyclohexyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-cyclohexyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-cyclohexyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine is COCCCNCC(C)N(C)C1CCCCC1.
What is the InChIKey of 2-N-cyclohexyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine?
The InChIKey is AZLQWBREOUVHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-13(12-15-10-7-11-17-3)16(2)14-8-5-4-6-9-14/h13-15H,4-12H2,1-3H3.
What are the key properties of 2-N-cyclohexyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine?
2-N-cyclohexyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 62557645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).