N-(5-aminopentyl)-N,3-dimethylpentanamide

C12H26N2O — CID 107206770

IUPACN-(5-aminopentyl)-N,3-dimethylpentanamide
SMILESCCC(C)CC(=O)N(C)CCCCCN
InChIInChI=1S/C12H26N2O/c1-4-11(2)10-12(15)14(3)9-7-5-6-8-13/h11H,4-10,13H2,1-3H3
InChIKeyXYUJVXJLIKZQNO-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.01
Rot. Bonds8

About N-(5-aminopentyl)-N,3-dimethylpentanamide

N-(5-aminopentyl)-N,3-dimethylpentanamide (PubChem CID 107206770) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-(5-aminopentyl)-N,3-dimethylpentanamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-N,3-dimethylpentanamide
PubChem CID107206770
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-(5-aminopentyl)-N,3-dimethylpentanamide
SMILESCCC(C)CC(=O)N(C)CCCCCN
InChIInChI=1S/C12H26N2O/c1-4-11(2)10-12(15)14(3)9-7-5-6-8-13/h11H,4-10,13H2,1-3H3
InChIKeyXYUJVXJLIKZQNO-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
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-(3-aminopropyl)-N-methyl-3-[methyl(2-methylbutyl)amino]propanamide
CID 43295435
N-(3-aminopropyl)-N-methyl-2-(2-methylbutylsulfinyl)acetamide
CID 107767316
N-(5-aminopentyl)-3-ethoxy-N-methylpropanamide
CID 107206617
1-amino-7-methylnonan-5-one
CID 116571906
7-amino-N-(5-hydroxypentyl)-N-methylheptanamide
CID 107199281
N-(3-aminopropyl)-2-butan-2-ylsulfinyl-N-methylacetamide
CID 81328932
N-(3-aminopropyl)-N-methylheptanamide
CID 115737512
N-(3-aminopropyl)-N-methyloctanamide
CID 43125160
N-(3-aminopropyl)-N-methyldecanamide
CID 65447774
N-(5-aminopentyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide
CID 107206665
N-(5-aminopentyl)-4,4,4-trifluoro-N-methylbutanamide
CID 107206525
N-(3-aminopropyl)-3-[ethyl(2-ethylbutyl)amino]-N-methylpropanamide
CID 43588424

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-N,3-dimethylpentanamide?
The IUPAC name of N-(5-aminopentyl)-N,3-dimethylpentanamide (CID 107206770) is N-(5-aminopentyl)-N,3-dimethylpentanamide.
What is the SMILES notation for N-(5-aminopentyl)-N,3-dimethylpentanamide?
The canonical SMILES for N-(5-aminopentyl)-N,3-dimethylpentanamide is CCC(C)CC(=O)N(C)CCCCCN.
What is the InChIKey of N-(5-aminopentyl)-N,3-dimethylpentanamide?
The InChIKey is XYUJVXJLIKZQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-11(2)10-12(15)14(3)9-7-5-6-8-13/h11H,4-10,13H2,1-3H3.
What are the key properties of N-(5-aminopentyl)-N,3-dimethylpentanamide?
N-(5-aminopentyl)-N,3-dimethylpentanamide has a molecular weight of 214.35 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-N,3-dimethylpentanamide is sourced from PubChem (CID 107206770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).