N-butyl-N-[4-(tert-butylamino)butyl]butanamide

C16H34N2O — CID 89364805

IUPACN-butyl-N-[4-(tert-butylamino)butyl]butanamide
SMILESCCCCN(CCCCNC(C)(C)C)C(=O)CCC
InChIInChI=1S/C16H34N2O/c1-6-8-13-18(15(19)11-7-2)14-10-9-12-17-16(3,4)5/h17H,6-14H2,1-5H3
InChIKeyGJWXLGCCDLVXMR-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.58
Rot. Bonds10

About N-butyl-N-[4-(tert-butylamino)butyl]butanamide

N-butyl-N-[4-(tert-butylamino)butyl]butanamide (PubChem CID 89364805) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N-butyl-N-[4-(tert-butylamino)butyl]butanamide.

Molecular Properties

Compound NameN-butyl-N-[4-(tert-butylamino)butyl]butanamide
PubChem CID89364805
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN-butyl-N-[4-(tert-butylamino)butyl]butanamide
SMILESCCCCN(CCCCNC(C)(C)C)C(=O)CCC
InChIInChI=1S/C16H34N2O/c1-6-8-13-18(15(19)11-7-2)14-10-9-12-17-16(3,4)5/h17H,6-14H2,1-5H3
InChIKeyGJWXLGCCDLVXMR-UHFFFAOYSA-N
XLogP3.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.58
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-(tert-butylamino)-N-(2-hydroxyethyl)propanamide
CID 54870894
N,N-di(undecyl)butanamide
CID 533369
N,N-di(nonyl)butanamide
CID 533367
N-tert-butyl-N',N'-dibutylbutane-1,4-diamine
CID 62418469
N-ethyl-N-octylbutanamide
CID 138793187
N-butyl-N-[5-(diethylamino)pentyl]butanamide
CID 89364821
3-(tert-butylamino)-N-(2-hydroxyethyl)-N-propylpropanamide
CID 60945491
N,N-didecyl-8-(octylamino)octanamide
CID 172581253
N-butyl-N-octyldecanamide
CID 18913402
N-butyl-N-[5-(butylamino)pentyl]-3,3-dimethylbutanamide
CID 58848837
tert-butyl N-[8-(dibutylamino)-8-oxooctyl]carbamate
CID 54265387
4-[[4-(dioctylamino)-4-oxobutyl]amino]-N,N-dioctylbutanamide
CID 164875605

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[4-(tert-butylamino)butyl]butanamide?
The IUPAC name of N-butyl-N-[4-(tert-butylamino)butyl]butanamide (CID 89364805) is N-butyl-N-[4-(tert-butylamino)butyl]butanamide.
What is the SMILES notation for N-butyl-N-[4-(tert-butylamino)butyl]butanamide?
The canonical SMILES for N-butyl-N-[4-(tert-butylamino)butyl]butanamide is CCCCN(CCCCNC(C)(C)C)C(=O)CCC.
What is the InChIKey of N-butyl-N-[4-(tert-butylamino)butyl]butanamide?
The InChIKey is GJWXLGCCDLVXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-8-13-18(15(19)11-7-2)14-10-9-12-17-16(3,4)5/h17H,6-14H2,1-5H3.
What are the key properties of N-butyl-N-[4-(tert-butylamino)butyl]butanamide?
N-butyl-N-[4-(tert-butylamino)butyl]butanamide has a molecular weight of 270.46 g/mol, XLogP of 3.58, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[4-(tert-butylamino)butyl]butanamide is sourced from PubChem (CID 89364805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).