2-[3-aminopropyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide

C13H29N3O — CID 54962103

IUPAC2-[3-aminopropyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CN(CCCN)C(C)C
InChIInChI=1S/C13H29N3O/c1-10(2)12(5)15-13(17)9-16(11(3)4)8-6-7-14/h10-12H,6-9,14H2,1-5H3,(H,15,17)
InChIKeyYSJUOQMLWZNHOR-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.21
Rot. Bonds8

About 2-[3-aminopropyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide

2-[3-aminopropyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 54962103) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-[3-aminopropyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-aminopropyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
PubChem CID54962103
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name2-[3-aminopropyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CN(CCCN)C(C)C
InChIInChI=1S/C13H29N3O/c1-10(2)12(5)15-13(17)9-16(11(3)4)8-6-7-14/h10-12H,6-9,14H2,1-5H3,(H,15,17)
InChIKeyYSJUOQMLWZNHOR-UHFFFAOYSA-N
XLogP1.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-aminopropyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-aminoethyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 61489563
2-[2-hydroxyethyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 60691834
1-[3-aminopropyl(propan-2-yl)amino]propan-2-one
CID 89029623
2-[3-aminopropyl(propan-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 61487571
2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 62014229
2-(3-aminopropylsulfonyl)-N-(3-methylbutan-2-yl)acetamide
CID 81187001
2-(2-aminoethylsulfonyl)-N-(3-methylbutan-2-yl)acetamide
CID 81174763
7-amino-N-(3-methylbutan-2-yl)heptanamide;hydrochloride
CID 119678384
N-(3-methylbutan-2-yl)-2-[piperidin-4-ylmethyl(propan-2-yl)amino]acetamide
CID 79714649
2-[3-aminopropyl(propan-2-yl)amino]-1-(azepan-1-yl)ethanone
CID 43137448
2-[2-methoxyethyl(propan-2-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 82951079
N-(3-aminopropyl)-N-methyl-2-[propan-2-yl(propyl)amino]acetamide
CID 43269272

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[3-aminopropyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide (CID 54962103) is 2-[3-aminopropyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[3-aminopropyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[3-aminopropyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)CN(CCCN)C(C)C.
What is the InChIKey of 2-[3-aminopropyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is YSJUOQMLWZNHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-10(2)12(5)15-13(17)9-16(11(3)4)8-6-7-14/h10-12H,6-9,14H2,1-5H3,(H,15,17).
What are the key properties of 2-[3-aminopropyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide?
2-[3-aminopropyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 243.39 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 54962103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).