N-(5-aminopentyl)-N-butyl-3,3-dimethylbutanamide

C15H32N2O — CID 58848482

IUPACN-(5-aminopentyl)-N-butyl-3,3-dimethylbutanamide
SMILESCCCCN(CCCCCN)C(=O)CC(C)(C)C
InChIInChI=1S/C15H32N2O/c1-5-6-11-17(12-9-7-8-10-16)14(18)13-15(2,3)4/h5-13,16H2,1-4H3
InChIKeyKMWCDDZVVBCKAX-UHFFFAOYSA-N
MW256.43 g/mol
LogP3.18
Rot. Bonds9

About N-(5-aminopentyl)-N-butyl-3,3-dimethylbutanamide

N-(5-aminopentyl)-N-butyl-3,3-dimethylbutanamide (PubChem CID 58848482) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-(5-aminopentyl)-N-butyl-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-N-butyl-3,3-dimethylbutanamide
PubChem CID58848482
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-(5-aminopentyl)-N-butyl-3,3-dimethylbutanamide
SMILESCCCCN(CCCCCN)C(=O)CC(C)(C)C
InChIInChI=1S/C15H32N2O/c1-5-6-11-17(12-9-7-8-10-16)14(18)13-15(2,3)4/h5-13,16H2,1-4H3
InChIKeyKMWCDDZVVBCKAX-UHFFFAOYSA-N
XLogP3.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 53.18
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-butyl-3,3-dimethylbutanamide
CID 58848995
N-butyl-3,3-dimethyl-N-pentylbutanamide
CID 18736050
N-(3-aminopropyl)-3,3-dimethyl-N-propylbutanamide
CID 43136576
N-butyl-N-[5-(butylamino)pentyl]-3,3-dimethylbutanamide
CID 58848837
4-amino-N,N-di(tetradecyl)butanamide
CID 169149946
N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 78866720
N-butyl-3,3-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]butanamide
CID 58848104
N-butyl-3,3-dimethyl-N-(5-morpholin-4-ylpentyl)butanamide
CID 58848463
1-(4-aminobutyl)-1-octadecylurea
CID 139835772
N-(3-aminopropyl)-N-butylpropanamide;ethane
CID 142121594
3-amino-N-butyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 64684879
N,N-bis(3-aminopropyl)octanamide;dihydrochloride
CID 134306237

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-N-butyl-3,3-dimethylbutanamide?
The IUPAC name of N-(5-aminopentyl)-N-butyl-3,3-dimethylbutanamide (CID 58848482) is N-(5-aminopentyl)-N-butyl-3,3-dimethylbutanamide.
What is the SMILES notation for N-(5-aminopentyl)-N-butyl-3,3-dimethylbutanamide?
The canonical SMILES for N-(5-aminopentyl)-N-butyl-3,3-dimethylbutanamide is CCCCN(CCCCCN)C(=O)CC(C)(C)C.
What is the InChIKey of N-(5-aminopentyl)-N-butyl-3,3-dimethylbutanamide?
The InChIKey is KMWCDDZVVBCKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-6-11-17(12-9-7-8-10-16)14(18)13-15(2,3)4/h5-13,16H2,1-4H3.
What are the key properties of N-(5-aminopentyl)-N-butyl-3,3-dimethylbutanamide?
N-(5-aminopentyl)-N-butyl-3,3-dimethylbutanamide has a molecular weight of 256.43 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-N-butyl-3,3-dimethylbutanamide is sourced from PubChem (CID 58848482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).