4-amino-3-[butan-2-yl(ethyl)amino]-N-propylbutanamide

C13H29N3O — CID 66426959

IUPAC4-amino-3-[butan-2-yl(ethyl)amino]-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)N(CC)C(C)CC
InChIInChI=1S/C13H29N3O/c1-5-8-15-13(17)9-12(10-14)16(7-3)11(4)6-2/h11-12H,5-10,14H2,1-4H3,(H,15,17)
InChIKeyAXLHGVUNSIRFMJ-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.35
Rot. Bonds9

About 4-amino-3-[butan-2-yl(ethyl)amino]-N-propylbutanamide

4-amino-3-[butan-2-yl(ethyl)amino]-N-propylbutanamide (PubChem CID 66426959) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-amino-3-[butan-2-yl(ethyl)amino]-N-propylbutanamide.

Molecular Properties

Compound Name4-amino-3-[butan-2-yl(ethyl)amino]-N-propylbutanamide
PubChem CID66426959
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name4-amino-3-[butan-2-yl(ethyl)amino]-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)N(CC)C(C)CC
InChIInChI=1S/C13H29N3O/c1-5-8-15-13(17)9-12(10-14)16(7-3)11(4)6-2/h11-12H,5-10,14H2,1-4H3,(H,15,17)
InChIKeyAXLHGVUNSIRFMJ-UHFFFAOYSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-[butan-2-yl(ethyl)amino]-N-ethylbutanamide
CID 66428428
4-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-N-propylbutanamide
CID 103188233
4-amino-3-[butan-2-yl(2-methoxyethyl)amino]-N-propylbutanamide
CID 66428258
4-amino-3-[butan-2-yl(ethyl)amino]-N-propan-2-ylbutanamide
CID 66432611
3,4-diamino-N-propylbutanamide
CID 66426337
4-amino-3-[butan-2-yl(ethyl)amino]-N,N-diethylbutanamide
CID 66431882
4-amino-3-[cyclopropylmethyl(methyl)amino]-N-propylbutanamide
CID 66427616
4-amino-3-[cyclopropyl(propyl)amino]-N-propylbutanamide
CID 66426544
3,4-dimethyl-N-propylpentanamide
CID 89425193
4-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-N-propylbutanamide
CID 66428252
3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide
CID 81070103
4-amino-3-[butan-2-yl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one
CID 66432111

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[butan-2-yl(ethyl)amino]-N-propylbutanamide?
The IUPAC name of 4-amino-3-[butan-2-yl(ethyl)amino]-N-propylbutanamide (CID 66426959) is 4-amino-3-[butan-2-yl(ethyl)amino]-N-propylbutanamide.
What is the SMILES notation for 4-amino-3-[butan-2-yl(ethyl)amino]-N-propylbutanamide?
The canonical SMILES for 4-amino-3-[butan-2-yl(ethyl)amino]-N-propylbutanamide is CCCNC(=O)CC(CN)N(CC)C(C)CC.
What is the InChIKey of 4-amino-3-[butan-2-yl(ethyl)amino]-N-propylbutanamide?
The InChIKey is AXLHGVUNSIRFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-5-8-15-13(17)9-12(10-14)16(7-3)11(4)6-2/h11-12H,5-10,14H2,1-4H3,(H,15,17).
What are the key properties of 4-amino-3-[butan-2-yl(ethyl)amino]-N-propylbutanamide?
4-amino-3-[butan-2-yl(ethyl)amino]-N-propylbutanamide has a molecular weight of 243.39 g/mol, XLogP of 1.35, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[butan-2-yl(ethyl)amino]-N-propylbutanamide is sourced from PubChem (CID 66426959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).