N'-propan-2-yl-2-(propan-2-ylamino)butanediamide

C10H21N3O2 — CID 66431400

IUPACN'-propan-2-yl-2-(propan-2-ylamino)butanediamide
SMILESCC(C)NC(=O)CC(NC(C)C)C(N)=O
InChIInChI=1S/C10H21N3O2/c1-6(2)12-8(10(11)15)5-9(14)13-7(3)4/h6-8,12H,5H2,1-4H3,(H2,11,15)(H,13,14)
InChIKeyWJYZKJDLVHGLIB-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.25
Rot. Bonds6

About N'-propan-2-yl-2-(propan-2-ylamino)butanediamide

N'-propan-2-yl-2-(propan-2-ylamino)butanediamide (PubChem CID 66431400) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-propan-2-yl-2-(propan-2-ylamino)butanediamide.

Molecular Properties

Compound NameN'-propan-2-yl-2-(propan-2-ylamino)butanediamide
PubChem CID66431400
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-propan-2-yl-2-(propan-2-ylamino)butanediamide
SMILESCC(C)NC(=O)CC(NC(C)C)C(N)=O
InChIInChI=1S/C10H21N3O2/c1-6(2)12-8(10(11)15)5-9(14)13-7(3)4/h6-8,12H,5H2,1-4H3,(H2,11,15)(H,13,14)
InChIKeyWJYZKJDLVHGLIB-UHFFFAOYSA-N
XLogP-0.25
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(propan-2-ylamino)butanediamide
CID 66427979
4,4-dimethyl-2-(propan-2-ylamino)pentanamide
CID 62950415
2-amino-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 103239204
3,3-difluoro-N-propan-2-ylpropanamide
CID 177328037
3,4-dimethyl-N-propan-2-ylpentanamide
CID 153056975
N'-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanediamide
CID 166704062
3-(propan-2-ylamino)hexane-2,5-dione
CID 178008293
3-(3-methylbutan-2-ylamino)-N-propan-2-ylbutanamide
CID 115724429
(4S)-5-oxo-4-(propan-2-ylamino)hexanamide
CID 170374158
4-[3-(dimethylamino)propyl-methylamino]-2-(propan-2-ylamino)butanamide
CID 63699813
2-(methylamino)-3-[[3-oxo-2-(propan-2-ylamino)butyl]disulfanyl]propanamide
CID 91008719
N-propan-2-ylpropanamide;dihydrochloride
CID 172679019

Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-2-(propan-2-ylamino)butanediamide?
The IUPAC name of N'-propan-2-yl-2-(propan-2-ylamino)butanediamide (CID 66431400) is N'-propan-2-yl-2-(propan-2-ylamino)butanediamide.
What is the SMILES notation for N'-propan-2-yl-2-(propan-2-ylamino)butanediamide?
The canonical SMILES for N'-propan-2-yl-2-(propan-2-ylamino)butanediamide is CC(C)NC(=O)CC(NC(C)C)C(N)=O.
What is the InChIKey of N'-propan-2-yl-2-(propan-2-ylamino)butanediamide?
The InChIKey is WJYZKJDLVHGLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-6(2)12-8(10(11)15)5-9(14)13-7(3)4/h6-8,12H,5H2,1-4H3,(H2,11,15)(H,13,14).
What are the key properties of N'-propan-2-yl-2-(propan-2-ylamino)butanediamide?
N'-propan-2-yl-2-(propan-2-ylamino)butanediamide has a molecular weight of 215.30 g/mol, XLogP of -0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-2-(propan-2-ylamino)butanediamide is sourced from PubChem (CID 66431400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).