N'-(1-aminopropan-2-yl)-N'-methyl-N-propylbutanediamide

C11H23N3O2 — CID 119584251

IUPACN'-(1-aminopropan-2-yl)-N'-methyl-N-propylbutanediamide
SMILESCCCNC(=O)CCC(=O)N(C)C(C)CN
InChIInChI=1S/C11H23N3O2/c1-4-7-13-10(15)5-6-11(16)14(3)9(2)8-12/h9H,4-8,12H2,1-3H3,(H,13,15)
InChIKeyKOBYPKHMHFVNCD-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.10
Rot. Bonds7

About N'-(1-aminopropan-2-yl)-N'-methyl-N-propylbutanediamide

N'-(1-aminopropan-2-yl)-N'-methyl-N-propylbutanediamide (PubChem CID 119584251) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-(1-aminopropan-2-yl)-N'-methyl-N-propylbutanediamide.

Molecular Properties

Compound NameN'-(1-aminopropan-2-yl)-N'-methyl-N-propylbutanediamide
PubChem CID119584251
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-(1-aminopropan-2-yl)-N'-methyl-N-propylbutanediamide
SMILESCCCNC(=O)CCC(=O)N(C)C(C)CN
InChIInChI=1S/C11H23N3O2/c1-4-7-13-10(15)5-6-11(16)14(3)9(2)8-12/h9H,4-8,12H2,1-3H3,(H,13,15)
InChIKeyKOBYPKHMHFVNCD-UHFFFAOYSA-N
XLogP0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(1-aminopropan-2-yl)-N'-methyl-N-propylbutanediamide;hydrochloride
CID 119584250
N'-(3-amino-2-methylpropyl)-N-propylbutanediamide
CID 119998426
(4R)-4-amino-N-propylpentanamide
CID 146234117
N-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 119582150
N'-(3-aminopropyl)-N-propylbutanediamide
CID 119407981
3-[methyl(propan-2-yl)amino]-N-propylpropanamide
CID 170366588
N-(2-aminoethyl)-N',N'-dipropylbutanediamide;hydrochloride
CID 119382280
N-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 119583327
ethyl 4-oxo-4-[[3-oxo-3-(propylamino)propyl]amino]butanoate
CID 61149555
N-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119583326
N-[4-[1-aminopropan-2-yl(methyl)amino]-4-oxobutyl]benzamide;hydrochloride
CID 119585085
3-[[3-(aminomethylamino)-3-oxopropyl]amino]-N-propylpropanamide
CID 155228791

Frequently Asked Questions

What is the IUPAC name of N'-(1-aminopropan-2-yl)-N'-methyl-N-propylbutanediamide?
The IUPAC name of N'-(1-aminopropan-2-yl)-N'-methyl-N-propylbutanediamide (CID 119584251) is N'-(1-aminopropan-2-yl)-N'-methyl-N-propylbutanediamide.
What is the SMILES notation for N'-(1-aminopropan-2-yl)-N'-methyl-N-propylbutanediamide?
The canonical SMILES for N'-(1-aminopropan-2-yl)-N'-methyl-N-propylbutanediamide is CCCNC(=O)CCC(=O)N(C)C(C)CN.
What is the InChIKey of N'-(1-aminopropan-2-yl)-N'-methyl-N-propylbutanediamide?
The InChIKey is KOBYPKHMHFVNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-4-7-13-10(15)5-6-11(16)14(3)9(2)8-12/h9H,4-8,12H2,1-3H3,(H,13,15).
What are the key properties of N'-(1-aminopropan-2-yl)-N'-methyl-N-propylbutanediamide?
N'-(1-aminopropan-2-yl)-N'-methyl-N-propylbutanediamide has a molecular weight of 229.32 g/mol, XLogP of 0.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-aminopropan-2-yl)-N'-methyl-N-propylbutanediamide is sourced from PubChem (CID 119584251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).