2-(cycloheptylmethylamino)-N-ethyl-N-methylpropanamide

C14H28N2O — CID 103107981

IUPAC2-(cycloheptylmethylamino)-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCC1CCCCCC1
InChIInChI=1S/C14H28N2O/c1-4-16(3)14(17)12(2)15-11-13-9-7-5-6-8-10-13/h12-13,15H,4-11H2,1-3H3
InChIKeyVYMLUQWFRBEGSB-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.41
Rot. Bonds5

About 2-(cycloheptylmethylamino)-N-ethyl-N-methylpropanamide

2-(cycloheptylmethylamino)-N-ethyl-N-methylpropanamide (PubChem CID 103107981) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(cycloheptylmethylamino)-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-(cycloheptylmethylamino)-N-ethyl-N-methylpropanamide
PubChem CID103107981
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-(cycloheptylmethylamino)-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCC1CCCCCC1
InChIInChI=1S/C14H28N2O/c1-4-16(3)14(17)12(2)15-11-13-9-7-5-6-8-10-13/h12-13,15H,4-11H2,1-3H3
InChIKeyVYMLUQWFRBEGSB-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethylamino)-N-ethyl-N-methylpropanamide
CID 103106979
2-[(4-tert-butylcyclohexyl)methylamino]-N-ethyl-N-methylpropanamide
CID 103107695
N-ethyl-N-methyl-2-(oxan-3-ylmethylamino)propanamide
CID 103106976
N-ethyl-N-methyl-2-(thiolan-3-ylmethylamino)propanamide
CID 107132515
N-ethyl-N-methyl-2-(oxan-2-ylmethylamino)propanamide
CID 103108703
2-(cyclohexylmethylamino)-N,N,4-trimethylpentanamide
CID 43674999
2-(cyclohexylmethylamino)propanamide
CID 43216154
2-(cyclopentylmethylamino)propanoic acid
CID 61344306
2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide
CID 103108529
2-(cycloheptylmethylamino)-N-ethyl-N-methylacetamide
CID 104923486
2-(cyclobutylamino)-N-ethyl-N-methylpropanamide
CID 103108088
N-(cyclohexylmethyl)-2-methoxy-N-methylpropanamide
CID 112685953

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylmethylamino)-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-(cycloheptylmethylamino)-N-ethyl-N-methylpropanamide (CID 103107981) is 2-(cycloheptylmethylamino)-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-(cycloheptylmethylamino)-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-(cycloheptylmethylamino)-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)NCC1CCCCCC1.
What is the InChIKey of 2-(cycloheptylmethylamino)-N-ethyl-N-methylpropanamide?
The InChIKey is VYMLUQWFRBEGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-16(3)14(17)12(2)15-11-13-9-7-5-6-8-10-13/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 2-(cycloheptylmethylamino)-N-ethyl-N-methylpropanamide?
2-(cycloheptylmethylamino)-N-ethyl-N-methylpropanamide has a molecular weight of 240.39 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylmethylamino)-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103107981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).