2,2,4-trimethyl-N-[3-(methylamino)propyl]pentanamide;hydrochloride

C12H27ClN2O — CID 119431228

IUPAC2,2,4-trimethyl-N-[3-(methylamino)propyl]pentanamide;hydrochloride
SMILESCNCCCNC(=O)C(C)(C)CC(C)C.Cl
InChIInChI=1S/C12H26N2O.ClH/c1-10(2)9-12(3,4)11(15)14-8-6-7-13-5;/h10,13H,6-9H2,1-5H3,(H,14,15);1H
InChIKeyKAHKIWKRBZNYRJ-UHFFFAOYSA-N
MW250.81 g/mol
LogP2.21
Rot. Bonds7

About 2,2,4-trimethyl-N-[3-(methylamino)propyl]pentanamide;hydrochloride

2,2,4-trimethyl-N-[3-(methylamino)propyl]pentanamide;hydrochloride (PubChem CID 119431228) has the molecular formula C12H27ClN2O and a molecular weight of 250.81 g/mol. Its IUPAC name is 2,2,4-trimethyl-N-[3-(methylamino)propyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2,2,4-trimethyl-N-[3-(methylamino)propyl]pentanamide;hydrochloride
PubChem CID119431228
Molecular FormulaC12H27ClN2O
Molecular Weight250.81 g/mol
Exact Mass250.18
IUPAC Name2,2,4-trimethyl-N-[3-(methylamino)propyl]pentanamide;hydrochloride
SMILESCNCCCNC(=O)C(C)(C)CC(C)C.Cl
InChIInChI=1S/C12H26N2O.ClH/c1-10(2)9-12(3,4)11(15)14-8-6-7-13-5;/h10,13H,6-9H2,1-5H3,(H,14,15);1H
InChIKeyKAHKIWKRBZNYRJ-UHFFFAOYSA-N
XLogP2.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.81
LogP ≤ 52.21
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

N',2,2,4-tetramethylpentanehydrazide
CID 116847123
ethane;N,2,2,4-tetramethylpentanamide
CID 143818563
N-[2-(4-aminophenyl)ethyl]-2,2,4-trimethylpentanamide;hydrochloride
CID 119548327
2,2,4-trimethyl-N-prop-2-enylpentanamide
CID 166713850
2,2,4-trimethyl-N-propan-2-ylpentanamide
CID 126707660
2-hydroxy-2-methyl-N-(4-methylpentyl)propanamide
CID 104936584
2-tert-butyl-4,4-dimethyl-N-[3-(methylamino)propyl]pentanamide
CID 170128200
2-hydroxy-2-methyl-N-(5-methylhexyl)propanamide
CID 103430276
N-butyl-2,2,5-trimethylhexanamide
CID 145422242
2-methyl-N-[4-(methylamino)butyl]propanamide
CID 134337431
4-methyl-2-[(2,2,4-trimethylpentanoylamino)methyl]pentanoic acid
CID 120688025
2-methylpropyl N-[3-(methylamino)propyl]carbamate
CID 43602360

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-N-[3-(methylamino)propyl]pentanamide;hydrochloride?
The IUPAC name of 2,2,4-trimethyl-N-[3-(methylamino)propyl]pentanamide;hydrochloride (CID 119431228) is 2,2,4-trimethyl-N-[3-(methylamino)propyl]pentanamide;hydrochloride.
What is the SMILES notation for 2,2,4-trimethyl-N-[3-(methylamino)propyl]pentanamide;hydrochloride?
The canonical SMILES for 2,2,4-trimethyl-N-[3-(methylamino)propyl]pentanamide;hydrochloride is CNCCCNC(=O)C(C)(C)CC(C)C.Cl.
What is the InChIKey of 2,2,4-trimethyl-N-[3-(methylamino)propyl]pentanamide;hydrochloride?
The InChIKey is KAHKIWKRBZNYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O.ClH/c1-10(2)9-12(3,4)11(15)14-8-6-7-13-5;/h10,13H,6-9H2,1-5H3,(H,14,15);1H.
What are the key properties of 2,2,4-trimethyl-N-[3-(methylamino)propyl]pentanamide;hydrochloride?
2,2,4-trimethyl-N-[3-(methylamino)propyl]pentanamide;hydrochloride has a molecular weight of 250.81 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-N-[3-(methylamino)propyl]pentanamide;hydrochloride is sourced from PubChem (CID 119431228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).