2-amino-N-butyl-N-methylheptanamide;hydrochloride

C12H27ClN2O — CID 140973823

IUPAC2-amino-N-butyl-N-methylheptanamide;hydrochloride
SMILESCCCCCC(N)C(=O)N(C)CCCC.Cl
InChIInChI=1S/C12H26N2O.ClH/c1-4-6-8-9-11(13)12(15)14(3)10-7-5-2;/h11H,4-10,13H2,1-3H3;1H
InChIKeyQYMFSELWNMNBRN-UHFFFAOYSA-N
MW250.81 g/mol
LogP2.57
Rot. Bonds8

About 2-amino-N-butyl-N-methylheptanamide;hydrochloride

2-amino-N-butyl-N-methylheptanamide;hydrochloride (PubChem CID 140973823) has the molecular formula C12H27ClN2O and a molecular weight of 250.81 g/mol. Its IUPAC name is 2-amino-N-butyl-N-methylheptanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-butyl-N-methylheptanamide;hydrochloride
PubChem CID140973823
Molecular FormulaC12H27ClN2O
Molecular Weight250.81 g/mol
Exact Mass250.18
IUPAC Name2-amino-N-butyl-N-methylheptanamide;hydrochloride
SMILESCCCCCC(N)C(=O)N(C)CCCC.Cl
InChIInChI=1S/C12H26N2O.ClH/c1-4-6-8-9-11(13)12(15)14(3)10-7-5-2;/h11H,4-10,13H2,1-3H3;1H
InChIKeyQYMFSELWNMNBRN-UHFFFAOYSA-N
XLogP2.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.81
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-butyl-N-methylhexanamide
CID 103830866
2-amino-5-methoxy-N-methyl-N-pentylpentanamide
CID 81082325
2-amino-6-(dimethylamino)-N-methyl-N-propylhexanamide;ethane
CID 145098221
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-methylpentanamide
CID 107569740
N,N'-dibutyl-N,N'-dimethyl-2-tetradecylpropanediamide
CID 14944519
N,N'-dibutyl-N,N'-dimethyl-2-octadecylpropanediamide
CID 71348515
2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]hexanamide
CID 103832738
2-amino-N-butyl-N-methyl-4-phenylbutanamide
CID 114924840
2-amino-5-methoxy-N-(3-methoxypropyl)-N-methylpentanamide
CID 81088448
(2R)-2-amino-N,N-dimethylhexanamide
CID 87696829
(2R)-2-amino-N-methyl-N-pent-4-enylpentanamide
CID 103797423
2-amino-N-methyl-N-(3-methylbutyl)pentanamide
CID 60963800

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butyl-N-methylheptanamide;hydrochloride?
The IUPAC name of 2-amino-N-butyl-N-methylheptanamide;hydrochloride (CID 140973823) is 2-amino-N-butyl-N-methylheptanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-butyl-N-methylheptanamide;hydrochloride?
The canonical SMILES for 2-amino-N-butyl-N-methylheptanamide;hydrochloride is CCCCCC(N)C(=O)N(C)CCCC.Cl.
What is the InChIKey of 2-amino-N-butyl-N-methylheptanamide;hydrochloride?
The InChIKey is QYMFSELWNMNBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O.ClH/c1-4-6-8-9-11(13)12(15)14(3)10-7-5-2;/h11H,4-10,13H2,1-3H3;1H.
What are the key properties of 2-amino-N-butyl-N-methylheptanamide;hydrochloride?
2-amino-N-butyl-N-methylheptanamide;hydrochloride has a molecular weight of 250.81 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butyl-N-methylheptanamide;hydrochloride is sourced from PubChem (CID 140973823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).