N',N'-dicyclohexyl-N-(2-methoxyethyl)propane-1,3-diamine

C18H36N2O — CID 63027895

IUPACN',N'-dicyclohexyl-N-(2-methoxyethyl)propane-1,3-diamine
SMILESCOCCNCCCN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H36N2O/c1-21-16-14-19-13-8-15-20(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h17-19H,2-16H2,1H3
InChIKeyGEFWSZPHVUZFAP-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.58
Rot. Bonds9

About N',N'-dicyclohexyl-N-(2-methoxyethyl)propane-1,3-diamine

N',N'-dicyclohexyl-N-(2-methoxyethyl)propane-1,3-diamine (PubChem CID 63027895) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is N',N'-dicyclohexyl-N-(2-methoxyethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dicyclohexyl-N-(2-methoxyethyl)propane-1,3-diamine
PubChem CID63027895
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC NameN',N'-dicyclohexyl-N-(2-methoxyethyl)propane-1,3-diamine
SMILESCOCCNCCCN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H36N2O/c1-21-16-14-19-13-8-15-20(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h17-19H,2-16H2,1H3
InChIKeyGEFWSZPHVUZFAP-UHFFFAOYSA-N
XLogP3.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.58
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

N-tert-butyl-N',N'-dicyclohexylpropane-1,3-diamine
CID 60851349
N-(2-cyclohexyloxyethyl)-3-methoxypropan-1-amine
CID 62567637
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
N'-cycloheptyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62573665
N'-(1-ethylpiperidin-4-yl)-N-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 62563787
N-(2-cyclopentyloxyethyl)-2-methoxyethanamine
CID 62564778
N'-cyclohexyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
CID 61490482
N'-(cyclopropylmethyl)-N-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62563452
2-N-cyclohexyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62557645
N-cyclohexyl-2-(3-methoxypropylamino)-N-methylacetamide
CID 54829340
N-(2-methoxyethyl)-4-(3-methylcyclohexyl)oxybutan-1-amine
CID 62597111
N-(cyclohexylmethyl)-3-methoxypropan-1-amine
CID 17207140

Frequently Asked Questions

What is the IUPAC name of N',N'-dicyclohexyl-N-(2-methoxyethyl)propane-1,3-diamine?
The IUPAC name of N',N'-dicyclohexyl-N-(2-methoxyethyl)propane-1,3-diamine (CID 63027895) is N',N'-dicyclohexyl-N-(2-methoxyethyl)propane-1,3-diamine.
What is the SMILES notation for N',N'-dicyclohexyl-N-(2-methoxyethyl)propane-1,3-diamine?
The canonical SMILES for N',N'-dicyclohexyl-N-(2-methoxyethyl)propane-1,3-diamine is COCCNCCCN(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N',N'-dicyclohexyl-N-(2-methoxyethyl)propane-1,3-diamine?
The InChIKey is GEFWSZPHVUZFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-21-16-14-19-13-8-15-20(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h17-19H,2-16H2,1H3.
What are the key properties of N',N'-dicyclohexyl-N-(2-methoxyethyl)propane-1,3-diamine?
N',N'-dicyclohexyl-N-(2-methoxyethyl)propane-1,3-diamine has a molecular weight of 296.50 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dicyclohexyl-N-(2-methoxyethyl)propane-1,3-diamine is sourced from PubChem (CID 63027895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).