4-amino-3-[cyclopropylmethyl(methyl)amino]-N-propylbutanamide

C12H25N3O — CID 66427616

IUPAC4-amino-3-[cyclopropylmethyl(methyl)amino]-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)N(C)CC1CC1
InChIInChI=1S/C12H25N3O/c1-3-6-14-12(16)7-11(8-13)15(2)9-10-4-5-10/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyLEWUQMGTLNOGBG-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.57
Rot. Bonds8

About 4-amino-3-[cyclopropylmethyl(methyl)amino]-N-propylbutanamide

4-amino-3-[cyclopropylmethyl(methyl)amino]-N-propylbutanamide (PubChem CID 66427616) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-amino-3-[cyclopropylmethyl(methyl)amino]-N-propylbutanamide.

Molecular Properties

Compound Name4-amino-3-[cyclopropylmethyl(methyl)amino]-N-propylbutanamide
PubChem CID66427616
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name4-amino-3-[cyclopropylmethyl(methyl)amino]-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)N(C)CC1CC1
InChIInChI=1S/C12H25N3O/c1-3-6-14-12(16)7-11(8-13)15(2)9-10-4-5-10/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyLEWUQMGTLNOGBG-UHFFFAOYSA-N
XLogP0.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-[cyclopropylmethyl(methyl)amino]-N,N-dimethylbutanamide
CID 66430431
4-amino-3-[cyclopropyl(propyl)amino]-N-propylbutanamide
CID 66426544
4-amino-3-[butan-2-yl(ethyl)amino]-N-propylbutanamide
CID 66426959
4-amino-3-[cyclohexylmethyl(methyl)amino]butanamide
CID 66427542
4-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-N-propylbutanamide
CID 103188233
4-amino-3-[cyclohexylmethyl(methyl)amino]-N,N-dimethylbutanamide
CID 66429827
4-amino-3-[cyclopropylmethyl(ethyl)amino]-N-methylbutanamide
CID 66427576
4-amino-3-[cyclobutylmethyl(ethyl)amino]-N-ethylbutanamide
CID 107397676
4-amino-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-N-propylbutanamide
CID 66427402
3-(aminomethyl)-N-(2-cyclopropylethyl)pentanamide
CID 81080317
4-amino-N-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]butanamide
CID 66432647
3,4-diamino-N-propylbutanamide
CID 66426337

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[cyclopropylmethyl(methyl)amino]-N-propylbutanamide?
The IUPAC name of 4-amino-3-[cyclopropylmethyl(methyl)amino]-N-propylbutanamide (CID 66427616) is 4-amino-3-[cyclopropylmethyl(methyl)amino]-N-propylbutanamide.
What is the SMILES notation for 4-amino-3-[cyclopropylmethyl(methyl)amino]-N-propylbutanamide?
The canonical SMILES for 4-amino-3-[cyclopropylmethyl(methyl)amino]-N-propylbutanamide is CCCNC(=O)CC(CN)N(C)CC1CC1.
What is the InChIKey of 4-amino-3-[cyclopropylmethyl(methyl)amino]-N-propylbutanamide?
The InChIKey is LEWUQMGTLNOGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-6-14-12(16)7-11(8-13)15(2)9-10-4-5-10/h10-11H,3-9,13H2,1-2H3,(H,14,16).
What are the key properties of 4-amino-3-[cyclopropylmethyl(methyl)amino]-N-propylbutanamide?
4-amino-3-[cyclopropylmethyl(methyl)amino]-N-propylbutanamide has a molecular weight of 227.35 g/mol, XLogP of 0.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[cyclopropylmethyl(methyl)amino]-N-propylbutanamide is sourced from PubChem (CID 66427616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).