N-(4-aminobutan-2-yl)-N-methylheptanamide

C12H26N2O — CID 114751924

IUPACN-(4-aminobutan-2-yl)-N-methylheptanamide
SMILESCCCCCCC(=O)N(C)C(C)CCN
InChIInChI=1S/C12H26N2O/c1-4-5-6-7-8-12(15)14(3)11(2)9-10-13/h11H,4-10,13H2,1-3H3
InChIKeyGCZPSTIMNBNQND-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.15
Rot. Bonds8

About N-(4-aminobutan-2-yl)-N-methylheptanamide

N-(4-aminobutan-2-yl)-N-methylheptanamide (PubChem CID 114751924) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)-N-methylheptanamide.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)-N-methylheptanamide
PubChem CID114751924
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-(4-aminobutan-2-yl)-N-methylheptanamide
SMILESCCCCCCC(=O)N(C)C(C)CCN
InChIInChI=1S/C12H26N2O/c1-4-5-6-7-8-12(15)14(3)11(2)9-10-13/h11H,4-10,13H2,1-3H3
InChIKeyGCZPSTIMNBNQND-UHFFFAOYSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.15
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

N-(4-aminobutan-2-yl)-N,4-dimethylpentanamide
CID 63225605
ethane;N-methyl-N-propan-2-ylnonanamide
CID 142045586
2-[heptanoyl(methyl)amino]propanoic acid
CID 62626215
(2S)-2-[methyl(octadecanoyl)amino]propanoic acid
CID 20689915
N-(1-cyanopropan-2-yl)-N-methyldodecanamide
CID 63296980
N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methylnonanamide
CID 65448406
(2S)-4-methyl-2-[methyl(octanoyl)amino]pentanoic acid
CID 10945558
bis[[(2S)-2-[methyl(octadecanoyl)amino]propanoyl]oxy]alumanyl (2S)-2-[methyl(octadecanoyl)amino]propanoate
CID 139835757
N-(3-aminopropyl)-N-methyloctanamide
CID 43125160
N-(3-aminopropyl)-N-methyldecanamide
CID 65447774
N-(3-aminopropyl)-N-methylheptanamide
CID 115737512
2-[methyl(tetradecanoyl)amino]pentanoic acid
CID 175341012

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)-N-methylheptanamide?
The IUPAC name of N-(4-aminobutan-2-yl)-N-methylheptanamide (CID 114751924) is N-(4-aminobutan-2-yl)-N-methylheptanamide.
What is the SMILES notation for N-(4-aminobutan-2-yl)-N-methylheptanamide?
The canonical SMILES for N-(4-aminobutan-2-yl)-N-methylheptanamide is CCCCCCC(=O)N(C)C(C)CCN.
What is the InChIKey of N-(4-aminobutan-2-yl)-N-methylheptanamide?
The InChIKey is GCZPSTIMNBNQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-5-6-7-8-12(15)14(3)11(2)9-10-13/h11H,4-10,13H2,1-3H3.
What are the key properties of N-(4-aminobutan-2-yl)-N-methylheptanamide?
N-(4-aminobutan-2-yl)-N-methylheptanamide has a molecular weight of 214.35 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutan-2-yl)-N-methylheptanamide is sourced from PubChem (CID 114751924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).