1-N-(3-methoxypropyl)-1-N-methyl-2-N-propylcycloheptane-1,2-diamine

C15H32N2O — CID 62985177

IUPAC1-N-(3-methoxypropyl)-1-N-methyl-2-N-propylcycloheptane-1,2-diamine
SMILESCCCNC1CCCCCC1N(C)CCCOC
InChIInChI=1S/C15H32N2O/c1-4-11-16-14-9-6-5-7-10-15(14)17(2)12-8-13-18-3/h14-16H,4-13H2,1-3H3
InChIKeyAHGYANPLJZLRGA-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.66
Rot. Bonds8

About 1-N-(3-methoxypropyl)-1-N-methyl-2-N-propylcycloheptane-1,2-diamine

1-N-(3-methoxypropyl)-1-N-methyl-2-N-propylcycloheptane-1,2-diamine (PubChem CID 62985177) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-N-(3-methoxypropyl)-1-N-methyl-2-N-propylcycloheptane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-methoxypropyl)-1-N-methyl-2-N-propylcycloheptane-1,2-diamine
PubChem CID62985177
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-N-(3-methoxypropyl)-1-N-methyl-2-N-propylcycloheptane-1,2-diamine
SMILESCCCNC1CCCCCC1N(C)CCCOC
InChIInChI=1S/C15H32N2O/c1-4-11-16-14-9-6-5-7-10-15(14)17(2)12-8-13-18-3/h14-16H,4-13H2,1-3H3
InChIKeyAHGYANPLJZLRGA-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
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 1-N-(3-methoxypropyl)-1-N-methyl-2-N-propylcycloheptane-1,2-diamine?
The IUPAC name of 1-N-(3-methoxypropyl)-1-N-methyl-2-N-propylcycloheptane-1,2-diamine (CID 62985177) is 1-N-(3-methoxypropyl)-1-N-methyl-2-N-propylcycloheptane-1,2-diamine.
What is the SMILES notation for 1-N-(3-methoxypropyl)-1-N-methyl-2-N-propylcycloheptane-1,2-diamine?
The canonical SMILES for 1-N-(3-methoxypropyl)-1-N-methyl-2-N-propylcycloheptane-1,2-diamine is CCCNC1CCCCCC1N(C)CCCOC.
What is the InChIKey of 1-N-(3-methoxypropyl)-1-N-methyl-2-N-propylcycloheptane-1,2-diamine?
The InChIKey is AHGYANPLJZLRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-4-11-16-14-9-6-5-7-10-15(14)17(2)12-8-13-18-3/h14-16H,4-13H2,1-3H3.
What are the key properties of 1-N-(3-methoxypropyl)-1-N-methyl-2-N-propylcycloheptane-1,2-diamine?
1-N-(3-methoxypropyl)-1-N-methyl-2-N-propylcycloheptane-1,2-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methoxypropyl)-1-N-methyl-2-N-propylcycloheptane-1,2-diamine is sourced from PubChem (CID 62985177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).