N-cycloheptyl-2-methyl-3-(methylamino)propanamide;hydrochloride

C12H25ClN2O — CID 119674669

IUPACN-cycloheptyl-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NC1CCCCCC1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-10(9-13-2)12(15)14-11-7-5-3-4-6-8-11;/h10-11,13H,3-9H2,1-2H3,(H,14,15);1H
InChIKeyYQJARBTZSCCXNV-UHFFFAOYSA-N
MW248.80 g/mol
LogP2.10
Rot. Bonds4

About N-cycloheptyl-2-methyl-3-(methylamino)propanamide;hydrochloride

N-cycloheptyl-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119674669) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is N-cycloheptyl-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-cycloheptyl-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119674669
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC NameN-cycloheptyl-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NC1CCCCCC1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-10(9-13-2)12(15)14-11-7-5-3-4-6-8-11;/h10-11,13H,3-9H2,1-2H3,(H,14,15);1H
InChIKeyYQJARBTZSCCXNV-UHFFFAOYSA-N
XLogP2.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[(1S)-1-cyclohexylethyl]-2-methyl-3-(methylamino)propanamide
CID 81385876
N-(1-cyclopentylethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119782455
N-cyclopentyl-2-methylbutanamide;methane
CID 159941857
N-cyclohexyl-2-[1-(methylamino)propan-2-yloxy]propanamide
CID 55061239
N-cycloheptyl-2-methylpentanamide
CID 4532030
(2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide;hydrochloride
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[3-(cyclohexylamino)-2-methyl-3-oxopropyl]-trifluoroboranuide
CID 54589865
(2R)-N-cyclobutyl-2-methylbutanamide
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(2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide
CID 163408456

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-cycloheptyl-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119674669) is N-cycloheptyl-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-cycloheptyl-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-cycloheptyl-2-methyl-3-(methylamino)propanamide;hydrochloride is CNCC(C)C(=O)NC1CCCCCC1.Cl.
What is the InChIKey of N-cycloheptyl-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is YQJARBTZSCCXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-10(9-13-2)12(15)14-11-7-5-3-4-6-8-11;/h10-11,13H,3-9H2,1-2H3,(H,14,15);1H.
What are the key properties of N-cycloheptyl-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-cycloheptyl-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119674669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).