3,4-diamino-N-propylbutanamide

C7H17N3O — CID 66426337

IUPAC3,4-diamino-N-propylbutanamide
SMILESCCCNC(=O)CC(N)CN
InChIInChI=1S/C7H17N3O/c1-2-3-10-7(11)4-6(9)5-8/h6H,2-5,8-9H2,1H3,(H,10,11)
InChIKeyCZJVXEWBVJYODJ-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.81
Rot. Bonds5

About 3,4-diamino-N-propylbutanamide

3,4-diamino-N-propylbutanamide (PubChem CID 66426337) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 3,4-diamino-N-propylbutanamide.

Molecular Properties

Compound Name3,4-diamino-N-propylbutanamide
PubChem CID66426337
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name3,4-diamino-N-propylbutanamide
SMILESCCCNC(=O)CC(N)CN
InChIInChI=1S/C7H17N3O/c1-2-3-10-7(11)4-6(9)5-8/h6H,2-5,8-9H2,1H3,(H,10,11)
InChIKeyCZJVXEWBVJYODJ-UHFFFAOYSA-N
XLogP-0.81
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-[butan-2-yl(ethyl)amino]-N-propylbutanamide
CID 66426959
3,4-dimethyl-N-propylpentanamide
CID 89425193
4-amino-N-propyl-3-(2,2,2-trifluoroethylamino)butanamide
CID 66429516
3-methyl-N-propylhexanamide
CID 143315126
(4R)-4-amino-N-propylpentanamide
CID 146234117
4-amino-3-[butan-2-yl(2-methoxyethyl)amino]-N-propylbutanamide
CID 66428258
3-(aminomethyl)-N-butylpentanamide
CID 81071551
N'-(3-amino-2-methylpropyl)-N-propylbutanediamide
CID 119998426
N,N'-dipropyl-2-(propylamino)butanediamide
CID 90878488
4-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-N-propylbutanamide
CID 103188233
4-amino-N-propyl-3-thiomorpholin-4-ylbutanamide
CID 66426330
methane;3-methyl-N-(3-methylbutan-2-yl)butanamide;3-methyl-N-propylbutanamide
CID 162025713

Frequently Asked Questions

What is the IUPAC name of 3,4-diamino-N-propylbutanamide?
The IUPAC name of 3,4-diamino-N-propylbutanamide (CID 66426337) is 3,4-diamino-N-propylbutanamide.
What is the SMILES notation for 3,4-diamino-N-propylbutanamide?
The canonical SMILES for 3,4-diamino-N-propylbutanamide is CCCNC(=O)CC(N)CN.
What is the InChIKey of 3,4-diamino-N-propylbutanamide?
The InChIKey is CZJVXEWBVJYODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-2-3-10-7(11)4-6(9)5-8/h6H,2-5,8-9H2,1H3,(H,10,11).
What are the key properties of 3,4-diamino-N-propylbutanamide?
3,4-diamino-N-propylbutanamide has a molecular weight of 159.23 g/mol, XLogP of -0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diamino-N-propylbutanamide is sourced from PubChem (CID 66426337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).