2-[3-aminopropyl(cyclopropyl)amino]-N-pentan-2-ylpropanamide

C14H29N3O — CID 43137511

IUPAC2-[3-aminopropyl(cyclopropyl)amino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)N(CCCN)C1CC1
InChIInChI=1S/C14H29N3O/c1-4-6-11(2)16-14(18)12(3)17(10-5-9-15)13-7-8-13/h11-13H,4-10,15H2,1-3H3,(H,16,18)
InChIKeyPXVWCPSXPSLARD-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.49
Rot. Bonds9

About 2-[3-aminopropyl(cyclopropyl)amino]-N-pentan-2-ylpropanamide

2-[3-aminopropyl(cyclopropyl)amino]-N-pentan-2-ylpropanamide (PubChem CID 43137511) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[3-aminopropyl(cyclopropyl)amino]-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-[3-aminopropyl(cyclopropyl)amino]-N-pentan-2-ylpropanamide
PubChem CID43137511
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-[3-aminopropyl(cyclopropyl)amino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)N(CCCN)C1CC1
InChIInChI=1S/C14H29N3O/c1-4-6-11(2)16-14(18)12(3)17(10-5-9-15)13-7-8-13/h11-13H,4-10,15H2,1-3H3,(H,16,18)
InChIKeyPXVWCPSXPSLARD-UHFFFAOYSA-N
XLogP1.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(2-hydroxyethyl)amino]-N-pentan-2-ylpropanamide
CID 62021160
2-[3-aminopropyl(cyclobutyl)amino]-N-propan-2-ylpropanamide
CID 102875071
2-[3-aminopropyl(cyclopropyl)amino]-N-carbamoylpropanamide
CID 43137524
2-[3-aminopropyl(cyclopentyl)amino]-N-propylpropanamide
CID 43137600
2-[3-aminopropyl(cyclopropyl)amino]-N-cyclopentylpropanamide
CID 43137529
2-[3-aminopropyl(propan-2-yl)amino]-N-pentan-2-ylpropanamide
CID 43137419
2-[3-aminopropyl(propyl)amino]-N-pentan-2-ylpropanamide
CID 43137331
2-[3-aminopropyl(cyclohexyl)amino]-N-ethylpropanamide
CID 43137645
2-[3-aminopropyl(cyclopropyl)amino]-N-(2-methoxyethyl)propanamide
CID 43137532
2-[3-aminopropyl(cyclohexyl)amino]-N-tert-butylpropanamide
CID 43137650
N-butan-2-yl-2-[piperidin-4-yl(propyl)amino]propanamide
CID 60807515
N'-cyclopropyl-N'-propan-2-ylpropane-1,3-diamine
CID 43137500

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(cyclopropyl)amino]-N-pentan-2-ylpropanamide?
The IUPAC name of 2-[3-aminopropyl(cyclopropyl)amino]-N-pentan-2-ylpropanamide (CID 43137511) is 2-[3-aminopropyl(cyclopropyl)amino]-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-[3-aminopropyl(cyclopropyl)amino]-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-[3-aminopropyl(cyclopropyl)amino]-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)N(CCCN)C1CC1.
What is the InChIKey of 2-[3-aminopropyl(cyclopropyl)amino]-N-pentan-2-ylpropanamide?
The InChIKey is PXVWCPSXPSLARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-6-11(2)16-14(18)12(3)17(10-5-9-15)13-7-8-13/h11-13H,4-10,15H2,1-3H3,(H,16,18).
What are the key properties of 2-[3-aminopropyl(cyclopropyl)amino]-N-pentan-2-ylpropanamide?
2-[3-aminopropyl(cyclopropyl)amino]-N-pentan-2-ylpropanamide has a molecular weight of 255.41 g/mol, XLogP of 1.49, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(cyclopropyl)amino]-N-pentan-2-ylpropanamide is sourced from PubChem (CID 43137511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).