2-N-(3-methoxypropyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine

C15H32N2O — CID 62984825

IUPAC2-N-(3-methoxypropyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine
SMILESCCCNC1CCC(C)CC1N(C)CCCOC
InChIInChI=1S/C15H32N2O/c1-5-9-16-14-8-7-13(2)12-15(14)17(3)10-6-11-18-4/h13-16H,5-12H2,1-4H3
InChIKeyWWYPWJKGKDGEIM-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds8

About 2-N-(3-methoxypropyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine

2-N-(3-methoxypropyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine (PubChem CID 62984825) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-N-(3-methoxypropyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-methoxypropyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine
PubChem CID62984825
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2-N-(3-methoxypropyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine
SMILESCCCNC1CCC(C)CC1N(C)CCCOC
InChIInChI=1S/C15H32N2O/c1-5-9-16-14-8-7-13(2)12-15(14)17(3)10-6-11-18-4/h13-16H,5-12H2,1-4H3
InChIKeyWWYPWJKGKDGEIM-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
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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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methoxypropyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-(3-methoxypropyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine (CID 62984825) is 2-N-(3-methoxypropyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(3-methoxypropyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(3-methoxypropyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine is CCCNC1CCC(C)CC1N(C)CCCOC.
What is the InChIKey of 2-N-(3-methoxypropyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine?
The InChIKey is WWYPWJKGKDGEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-9-16-14-8-7-13(2)12-15(14)17(3)10-6-11-18-4/h13-16H,5-12H2,1-4H3.
What are the key properties of 2-N-(3-methoxypropyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine?
2-N-(3-methoxypropyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methoxypropyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine is sourced from PubChem (CID 62984825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).