N-butyl-N-[5-(butylamino)pentyl]-3,3-dimethylbutanamide

C19H40N2O — CID 58848837

IUPACN-butyl-N-[5-(butylamino)pentyl]-3,3-dimethylbutanamide
SMILESCCCCNCCCCCN(CCCC)C(=O)CC(C)(C)C
InChIInChI=1S/C19H40N2O/c1-6-8-13-20-14-11-10-12-16-21(15-9-7-2)18(22)17-19(3,4)5/h20H,6-17H2,1-5H3
InChIKeyULIWLFVNDAUBKN-UHFFFAOYSA-N
MW312.54 g/mol
LogP4.61
Rot. Bonds13

About N-butyl-N-[5-(butylamino)pentyl]-3,3-dimethylbutanamide

N-butyl-N-[5-(butylamino)pentyl]-3,3-dimethylbutanamide (PubChem CID 58848837) has the molecular formula C19H40N2O and a molecular weight of 312.54 g/mol. Its IUPAC name is N-butyl-N-[5-(butylamino)pentyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-butyl-N-[5-(butylamino)pentyl]-3,3-dimethylbutanamide
PubChem CID58848837
Molecular FormulaC19H40N2O
Molecular Weight312.54 g/mol
Exact Mass312.31
IUPAC NameN-butyl-N-[5-(butylamino)pentyl]-3,3-dimethylbutanamide
SMILESCCCCNCCCCCN(CCCC)C(=O)CC(C)(C)C
InChIInChI=1S/C19H40N2O/c1-6-8-13-20-14-11-10-12-16-21(15-9-7-2)18(22)17-19(3,4)5/h20H,6-17H2,1-5H3
InChIKeyULIWLFVNDAUBKN-UHFFFAOYSA-N
XLogP4.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.54
LogP ≤ 54.61
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-butyl-3,3-dimethyl-N-pentylbutanamide
CID 18736050
N-butyl-N-[5-(butylamino)pentyl]propanamide
CID 142121020
N-(5-aminopentyl)-N-butyl-3,3-dimethylbutanamide
CID 58848482
N,N-didecyl-8-(octylamino)octanamide
CID 172581253
N-(3-aminopropyl)-N-butyl-3,3-dimethylbutanamide
CID 58848995
4-[[4-(dioctylamino)-4-oxobutyl]amino]-N,N-dioctylbutanamide
CID 164875605
dihexylcarbamic acid;N-hexylhexan-1-amine
CID 174945078
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
N-(3-aminopropyl)-3,3-dimethyl-N-propylbutanamide
CID 43136576
N-butyl-N-[4-(tert-butylamino)butyl]butanamide
CID 89364805

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[5-(butylamino)pentyl]-3,3-dimethylbutanamide?
The IUPAC name of N-butyl-N-[5-(butylamino)pentyl]-3,3-dimethylbutanamide (CID 58848837) is N-butyl-N-[5-(butylamino)pentyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-butyl-N-[5-(butylamino)pentyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-butyl-N-[5-(butylamino)pentyl]-3,3-dimethylbutanamide is CCCCNCCCCCN(CCCC)C(=O)CC(C)(C)C.
What is the InChIKey of N-butyl-N-[5-(butylamino)pentyl]-3,3-dimethylbutanamide?
The InChIKey is ULIWLFVNDAUBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2O/c1-6-8-13-20-14-11-10-12-16-21(15-9-7-2)18(22)17-19(3,4)5/h20H,6-17H2,1-5H3.
What are the key properties of N-butyl-N-[5-(butylamino)pentyl]-3,3-dimethylbutanamide?
N-butyl-N-[5-(butylamino)pentyl]-3,3-dimethylbutanamide has a molecular weight of 312.54 g/mol, XLogP of 4.61, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[5-(butylamino)pentyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 58848837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).