2-(tert-butylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide

C14H31N3O — CID 78958479

IUPAC2-(tert-butylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide
SMILESCC(C)N(C)CCCCNC(=O)CNC(C)(C)C
InChIInChI=1S/C14H31N3O/c1-12(2)17(6)10-8-7-9-15-13(18)11-16-14(3,4)5/h12,16H,7-11H2,1-6H3,(H,15,18)
InChIKeyBKQRFRNEGAEKFO-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.61
Rot. Bonds8

About 2-(tert-butylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide

2-(tert-butylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide (PubChem CID 78958479) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide
PubChem CID78958479
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name2-(tert-butylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide
SMILESCC(C)N(C)CCCCNC(=O)CNC(C)(C)C
InChIInChI=1S/C14H31N3O/c1-12(2)17(6)10-8-7-9-15-13(18)11-16-14(3,4)5/h12,16H,7-11H2,1-6H3,(H,15,18)
InChIKeyBKQRFRNEGAEKFO-UHFFFAOYSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide
CID 71936802
2-methoxy-2-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide
CID 113233457
N-[2-[[2-(tert-butylamino)acetyl]amino]ethyl]-2-methylpropanamide
CID 78972996
2-[2-[4-[methyl(propan-2-yl)amino]butylamino]-2-oxoethyl]sulfanylacetic acid
CID 113427769
5-amino-4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]pentanamide
CID 82011389
2-(aminomethyl)-4,4-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]pentanamide
CID 107471993
2-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 106047758
3-(4-aminocyclohexyl)-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide
CID 62781114
2-methyl-2-[4-[methyl(propan-2-yl)amino]butylcarbamoylamino]butanoic acid
CID 79801991
2-[tert-butyl-[4-[methyl(propan-2-yl)amino]butylcarbamoyl]amino]acetic acid
CID 79264253
2-(tert-butylamino)-N-propylacetamide
CID 28586578
(2S)-2-amino-3,3-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 114140545

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide?
The IUPAC name of 2-(tert-butylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide (CID 78958479) is 2-(tert-butylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide is CC(C)N(C)CCCCNC(=O)CNC(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide?
The InChIKey is BKQRFRNEGAEKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-12(2)17(6)10-8-7-9-15-13(18)11-16-14(3,4)5/h12,16H,7-11H2,1-6H3,(H,15,18).
What are the key properties of 2-(tert-butylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide?
2-(tert-butylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide has a molecular weight of 257.42 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide is sourced from PubChem (CID 78958479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).