2-[3-aminopropyl(cyclohexyl)amino]-N-tert-butylpropanamide

C16H33N3O — CID 43137650

IUPAC2-[3-aminopropyl(cyclohexyl)amino]-N-tert-butylpropanamide
SMILESCC(C(=O)NC(C)(C)C)N(CCCN)C1CCCCC1
InChIInChI=1S/C16H33N3O/c1-13(15(20)18-16(2,3)4)19(12-8-11-17)14-9-6-5-7-10-14/h13-14H,5-12,17H2,1-4H3,(H,18,20)
InChIKeyFQUOVNCMHGXJSK-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.27
Rot. Bonds6

About 2-[3-aminopropyl(cyclohexyl)amino]-N-tert-butylpropanamide

2-[3-aminopropyl(cyclohexyl)amino]-N-tert-butylpropanamide (PubChem CID 43137650) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-[3-aminopropyl(cyclohexyl)amino]-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-[3-aminopropyl(cyclohexyl)amino]-N-tert-butylpropanamide
PubChem CID43137650
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-[3-aminopropyl(cyclohexyl)amino]-N-tert-butylpropanamide
SMILESCC(C(=O)NC(C)(C)C)N(CCCN)C1CCCCC1
InChIInChI=1S/C16H33N3O/c1-13(15(20)18-16(2,3)4)19(12-8-11-17)14-9-6-5-7-10-14/h13-14H,5-12,17H2,1-4H3,(H,18,20)
InChIKeyFQUOVNCMHGXJSK-UHFFFAOYSA-N
XLogP2.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-aminopropyl(cyclohexyl)amino]-N-ethylpropanamide
CID 43137645
2-[3-aminopropyl(cyclobutyl)amino]-N-propan-2-ylpropanamide
CID 102875071
2-[3-aminopropyl(cyclopentyl)amino]-N-propylpropanamide
CID 43137600
2-[3-aminopropyl(cyclopropyl)amino]-N-cyclopentylpropanamide
CID 43137529
2-[2-aminoethyl(cyclopentyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 63760066
2-[3-aminopropyl(cyclopropyl)amino]-N-carbamoylpropanamide
CID 43137524
2-[2-aminoethyl(cyclobutyl)amino]-N-cyclohexylpropanamide
CID 102875118
2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]-N-tert-butylpropanamide
CID 54997777
2-[3-aminopropyl(methyl)amino]-N-tert-butylpropanamide
CID 43116493
1-(3-aminopropyl)-3-tert-butyl-1-cyclobutylurea
CID 102874239
2-[3-aminopropyl(cyclopropyl)amino]-N-pentan-2-ylpropanamide
CID 43137511
2-[3-aminopropyl(cyclohexyl)amino]propan-1-ol
CID 21469911

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(cyclohexyl)amino]-N-tert-butylpropanamide?
The IUPAC name of 2-[3-aminopropyl(cyclohexyl)amino]-N-tert-butylpropanamide (CID 43137650) is 2-[3-aminopropyl(cyclohexyl)amino]-N-tert-butylpropanamide.
What is the SMILES notation for 2-[3-aminopropyl(cyclohexyl)amino]-N-tert-butylpropanamide?
The canonical SMILES for 2-[3-aminopropyl(cyclohexyl)amino]-N-tert-butylpropanamide is CC(C(=O)NC(C)(C)C)N(CCCN)C1CCCCC1.
What is the InChIKey of 2-[3-aminopropyl(cyclohexyl)amino]-N-tert-butylpropanamide?
The InChIKey is FQUOVNCMHGXJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-13(15(20)18-16(2,3)4)19(12-8-11-17)14-9-6-5-7-10-14/h13-14H,5-12,17H2,1-4H3,(H,18,20).
What are the key properties of 2-[3-aminopropyl(cyclohexyl)amino]-N-tert-butylpropanamide?
2-[3-aminopropyl(cyclohexyl)amino]-N-tert-butylpropanamide has a molecular weight of 283.46 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(cyclohexyl)amino]-N-tert-butylpropanamide is sourced from PubChem (CID 43137650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).