N-(1-amino-2,4-dimethylpentan-2-yl)heptanamide

C14H30N2O — CID 115737471

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)heptanamide
SMILESCCCCCCC(=O)NC(C)(CN)CC(C)C
InChIInChI=1S/C14H30N2O/c1-5-6-7-8-9-13(17)16-14(4,11-15)10-12(2)3/h12H,5-11,15H2,1-4H3,(H,16,17)
InChIKeyYWJYAYTWLKDHAO-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.84
Rot. Bonds9

About N-(1-amino-2,4-dimethylpentan-2-yl)heptanamide

N-(1-amino-2,4-dimethylpentan-2-yl)heptanamide (PubChem CID 115737471) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)heptanamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)heptanamide
PubChem CID115737471
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)heptanamide
SMILESCCCCCCC(=O)NC(C)(CN)CC(C)C
InChIInChI=1S/C14H30N2O/c1-5-6-7-8-9-13(17)16-14(4,11-15)10-12(2)3/h12H,5-11,15H2,1-4H3,(H,16,17)
InChIKeyYWJYAYTWLKDHAO-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.84
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-(1-amino-2,4-dimethylpentan-2-yl)-5-(carbamoylamino)pentanamide
CID 119599057
N-(1-amino-2,3-dimethylbutan-2-yl)decanamide
CID 115310393
N-(1-amino-2,3-dimethylbutan-2-yl)octanamide
CID 81486540
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119600356
N-(1-amino-2,4-dimethylpentan-2-yl)-2-butoxyacetamide
CID 119598279
N-(1-amino-3-methylpentan-3-yl)nonanamide
CID 106164392
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylpentanamide
CID 114875694
N-(3-methylpentan-3-yl)hexanamide
CID 90883485
N-(1-amino-2,4-dimethylpentan-2-yl)-2-ethylhexanamide;hydrochloride
CID 120607605
N-(2-hydroxypropan-2-yl)heptanamide
CID 139307065
N-[3-(aminomethyl)pentan-3-yl]octanamide
CID 63767635
N-(1-amino-2,4-dimethylpentan-2-yl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride
CID 119597434

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)heptanamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)heptanamide (CID 115737471) is N-(1-amino-2,4-dimethylpentan-2-yl)heptanamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)heptanamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)heptanamide is CCCCCCC(=O)NC(C)(CN)CC(C)C.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)heptanamide?
The InChIKey is YWJYAYTWLKDHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-6-7-8-9-13(17)16-14(4,11-15)10-12(2)3/h12H,5-11,15H2,1-4H3,(H,16,17).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)heptanamide?
N-(1-amino-2,4-dimethylpentan-2-yl)heptanamide has a molecular weight of 242.41 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)heptanamide is sourced from PubChem (CID 115737471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).