2-[3-aminopropyl(cyclohexyl)amino]-N-ethylpropanamide

C14H29N3O — CID 43137645

IUPAC2-[3-aminopropyl(cyclohexyl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N(CCCN)C1CCCCC1
InChIInChI=1S/C14H29N3O/c1-3-16-14(18)12(2)17(11-7-10-15)13-8-5-4-6-9-13/h12-13H,3-11,15H2,1-2H3,(H,16,18)
InChIKeyIUKNNGCNWFXHIM-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.49
Rot. Bonds7

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

2-[3-aminopropyl(cyclohexyl)amino]-N-ethylpropanamide (PubChem CID 43137645) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[3-aminopropyl(cyclohexyl)amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[3-aminopropyl(cyclohexyl)amino]-N-ethylpropanamide
PubChem CID43137645
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-[3-aminopropyl(cyclohexyl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N(CCCN)C1CCCCC1
InChIInChI=1S/C14H29N3O/c1-3-16-14(18)12(2)17(11-7-10-15)13-8-5-4-6-9-13/h12-13H,3-11,15H2,1-2H3,(H,16,18)
InChIKeyIUKNNGCNWFXHIM-UHFFFAOYSA-N
XLogP1.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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-[3-aminopropyl(cyclopentyl)amino]-N-propylpropanamide
CID 43137600
2-[3-aminopropyl(cyclobutyl)amino]-N-propan-2-ylpropanamide
CID 102875071
2-[3-aminopropyl(cyclohexyl)amino]-N-tert-butylpropanamide
CID 43137650
2-[2-aminoethyl(cyclopentyl)amino]-N-(ethylcarbamoyl)propanamide
CID 63761474
2-[3-aminopropyl(cyclopropyl)amino]-N-cyclopentylpropanamide
CID 43137529
2-[3-aminopropyl(cyclopropyl)amino]-N-(2-methoxyethyl)propanamide
CID 43137532
2-[3-aminopropyl(cyclopropyl)amino]-N-carbamoylpropanamide
CID 43137524
2-[2-aminoethyl(cyclobutyl)amino]-N-cyclohexylpropanamide
CID 102875118
2-[3-aminopropyl(cyclopropyl)amino]-N-pentan-2-ylpropanamide
CID 43137511
2-[3-aminopropyl(cyclohexyl)amino]propan-1-ol
CID 21469911
N'-butan-2-yl-N'-cycloheptylpropane-1,3-diamine
CID 43137687
2-[cyclopentyl(2-hydroxyethyl)amino]-N-pentylpropanamide
CID 62016618

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(cyclohexyl)amino]-N-ethylpropanamide?
The IUPAC name of 2-[3-aminopropyl(cyclohexyl)amino]-N-ethylpropanamide (CID 43137645) is 2-[3-aminopropyl(cyclohexyl)amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[3-aminopropyl(cyclohexyl)amino]-N-ethylpropanamide?
The canonical SMILES for 2-[3-aminopropyl(cyclohexyl)amino]-N-ethylpropanamide is CCNC(=O)C(C)N(CCCN)C1CCCCC1.
What is the InChIKey of 2-[3-aminopropyl(cyclohexyl)amino]-N-ethylpropanamide?
The InChIKey is IUKNNGCNWFXHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-3-16-14(18)12(2)17(11-7-10-15)13-8-5-4-6-9-13/h12-13H,3-11,15H2,1-2H3,(H,16,18).
What are the key properties of 2-[3-aminopropyl(cyclohexyl)amino]-N-ethylpropanamide?
2-[3-aminopropyl(cyclohexyl)amino]-N-ethylpropanamide has a molecular weight of 255.41 g/mol, XLogP of 1.49, 7 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-ethylpropanamide is sourced from PubChem (CID 43137645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).