N-[(1-ethylcyclobutyl)methyl]-4-(methylamino)butanamide;hydrochloride

C12H25ClN2O — CID 119782138

IUPACN-[(1-ethylcyclobutyl)methyl]-4-(methylamino)butanamide;hydrochloride
SMILESCCC1(CNC(=O)CCCNC)CCC1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-3-12(7-5-8-12)10-14-11(15)6-4-9-13-2;/h13H,3-10H2,1-2H3,(H,14,15);1H
InChIKeyLKAPFJWJUFRLGZ-UHFFFAOYSA-N
MW248.80 g/mol
LogP2.10
Rot. Bonds7

About N-[(1-ethylcyclobutyl)methyl]-4-(methylamino)butanamide;hydrochloride

N-[(1-ethylcyclobutyl)methyl]-4-(methylamino)butanamide;hydrochloride (PubChem CID 119782138) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is N-[(1-ethylcyclobutyl)methyl]-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-ethylcyclobutyl)methyl]-4-(methylamino)butanamide;hydrochloride
PubChem CID119782138
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC NameN-[(1-ethylcyclobutyl)methyl]-4-(methylamino)butanamide;hydrochloride
SMILESCCC1(CNC(=O)CCCNC)CCC1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-3-12(7-5-8-12)10-14-11(15)6-4-9-13-2;/h13H,3-10H2,1-2H3,(H,14,15);1H
InChIKeyLKAPFJWJUFRLGZ-UHFFFAOYSA-N
XLogP2.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(1-ethylcyclopentyl)methylamino]-6-oxohexanoic acid
CID 114124800
N-[(1-ethylcyclopentyl)methyl]-2-(methylamino)acetamide
CID 103812596
4-amino-N-[(1-ethylcyclobutyl)methyl]pentanamide
CID 106813317
2-amino-N-[(1-ethylcyclopentyl)methyl]acetamide
CID 103797853
4-(methylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide
CID 61249197
3-amino-N-[(1-ethylcyclopropyl)methyl]propanamide
CID 103796646
N-[(1-ethylcyclobutyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111969896
1-butyl-3-[(1-ethylcyclobutyl)methyl]urea
CID 103740930
4-[(1-ethylcyclopentyl)methylamino]-N,N-dimethylbutanamide
CID 114125198
4-cyclopentyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]butanamide
CID 115272161
N-[(1-ethylcyclohexyl)methyl]acetamide;N-[(1-ethylcyclohexyl)methyl]dodecanamide;N-[(1-ethylcyclohexyl)methyl]heptanamide;N-[(1-ethylcyclohexyl)methyl]hexanamide;N-[(1-ethylcyclohexyl)methyl]undecanamide;N-[[1-(2-oxopropyl)cyclohexyl]methyl]decanamide;N-[[1-(2-oxopropyl)cyclohexyl]methyl]nonanamide;N-[[1-(2-oxopropyl)cyclohexyl]methyl]octanamide
CID 161460753
N-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 103810906

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclobutyl)methyl]-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-[(1-ethylcyclobutyl)methyl]-4-(methylamino)butanamide;hydrochloride (CID 119782138) is N-[(1-ethylcyclobutyl)methyl]-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-[(1-ethylcyclobutyl)methyl]-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-[(1-ethylcyclobutyl)methyl]-4-(methylamino)butanamide;hydrochloride is CCC1(CNC(=O)CCCNC)CCC1.Cl.
What is the InChIKey of N-[(1-ethylcyclobutyl)methyl]-4-(methylamino)butanamide;hydrochloride?
The InChIKey is LKAPFJWJUFRLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-3-12(7-5-8-12)10-14-11(15)6-4-9-13-2;/h13H,3-10H2,1-2H3,(H,14,15);1H.
What are the key properties of N-[(1-ethylcyclobutyl)methyl]-4-(methylamino)butanamide;hydrochloride?
N-[(1-ethylcyclobutyl)methyl]-4-(methylamino)butanamide;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclobutyl)methyl]-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119782138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).