N-[3-(dimethylamino)propyl]-N-methylcyclohexanecarboxamide

C13H26N2O — CID 143018860

IUPACN-[3-(dimethylamino)propyl]-N-methylcyclohexanecarboxamide
SMILESCN(C)CCCN(C)C(=O)C1CCCCC1
InChIInChI=1S/C13H26N2O/c1-14(2)10-7-11-15(3)13(16)12-8-5-4-6-9-12/h12H,4-11H2,1-3H3
InChIKeyABWUPTGUNFGJGQ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.98
Rot. Bonds5

About N-[3-(dimethylamino)propyl]-N-methylcyclohexanecarboxamide

N-[3-(dimethylamino)propyl]-N-methylcyclohexanecarboxamide (PubChem CID 143018860) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-methylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-methylcyclohexanecarboxamide
PubChem CID143018860
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[3-(dimethylamino)propyl]-N-methylcyclohexanecarboxamide
SMILESCN(C)CCCN(C)C(=O)C1CCCCC1
InChIInChI=1S/C13H26N2O/c1-14(2)10-7-11-15(3)13(16)12-8-5-4-6-9-12/h12H,4-11H2,1-3H3
InChIKeyABWUPTGUNFGJGQ-UHFFFAOYSA-N
XLogP1.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-methylcyclohexanecarboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-methylcyclohexanecarboxamide (CID 143018860) is N-[3-(dimethylamino)propyl]-N-methylcyclohexanecarboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-methylcyclohexanecarboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-methylcyclohexanecarboxamide is CN(C)CCCN(C)C(=O)C1CCCCC1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-methylcyclohexanecarboxamide?
The InChIKey is ABWUPTGUNFGJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-14(2)10-7-11-15(3)13(16)12-8-5-4-6-9-12/h12H,4-11H2,1-3H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-methylcyclohexanecarboxamide?
N-[3-(dimethylamino)propyl]-N-methylcyclohexanecarboxamide has a molecular weight of 226.36 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-methylcyclohexanecarboxamide is sourced from PubChem (CID 143018860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).