3-[(3-aminocyclohexyl)amino]-N-(2-methylpropyl)propanamide

C13H27N3O — CID 113409721

IUPAC3-[(3-aminocyclohexyl)amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCNC1CCCC(N)C1
InChIInChI=1S/C13H27N3O/c1-10(2)9-16-13(17)6-7-15-12-5-3-4-11(14)8-12/h10-12,15H,3-9,14H2,1-2H3,(H,16,17)
InChIKeySCYZARFCNZKXKJ-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.01
Rot. Bonds6

About 3-[(3-aminocyclohexyl)amino]-N-(2-methylpropyl)propanamide

3-[(3-aminocyclohexyl)amino]-N-(2-methylpropyl)propanamide (PubChem CID 113409721) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-[(3-aminocyclohexyl)amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[(3-aminocyclohexyl)amino]-N-(2-methylpropyl)propanamide
PubChem CID113409721
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name3-[(3-aminocyclohexyl)amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCNC1CCCC(N)C1
InChIInChI=1S/C13H27N3O/c1-10(2)9-16-13(17)6-7-15-12-5-3-4-11(14)8-12/h10-12,15H,3-9,14H2,1-2H3,(H,16,17)
InChIKeySCYZARFCNZKXKJ-UHFFFAOYSA-N
XLogP1.01
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-aminocyclohexyl)-N-(2-methylpropyl)propanamide
CID 80700557
methyl 3-[(3-aminocyclohexyl)amino]propanoate
CID 79458540
N-[2-[(3-aminocyclohexyl)amino]ethyl]acetamide
CID 79459016
N-ethyl-3-[(3-ethylcyclohexyl)amino]propanamide
CID 64743974
3-[(3-methoxycyclobutyl)amino]-N-(2-methylpropyl)propanamide
CID 106821612
2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]cyclobutane-1-carboxylic acid
CID 103263385
3-[(3-aminocyclopentyl)amino]-N-cyclopropylpropanamide
CID 79462547
5-[(3-aminocyclohexyl)amino]pentan-2-ol
CID 106121477
2-[(3-aminocyclohexyl)amino]ethanol
CID 79459217
1-N-propylcyclohexane-1,3-diamine
CID 22026573
1-N-(2-methylsulfonylethyl)cyclohexane-1,3-diamine
CID 79459348
3-cyclopentyl-N-(2-methylpropyl)propanamide
CID 918369

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminocyclohexyl)amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-[(3-aminocyclohexyl)amino]-N-(2-methylpropyl)propanamide (CID 113409721) is 3-[(3-aminocyclohexyl)amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[(3-aminocyclohexyl)amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-[(3-aminocyclohexyl)amino]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)CCNC1CCCC(N)C1.
What is the InChIKey of 3-[(3-aminocyclohexyl)amino]-N-(2-methylpropyl)propanamide?
The InChIKey is SCYZARFCNZKXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10(2)9-16-13(17)6-7-15-12-5-3-4-11(14)8-12/h10-12,15H,3-9,14H2,1-2H3,(H,16,17).
What are the key properties of 3-[(3-aminocyclohexyl)amino]-N-(2-methylpropyl)propanamide?
3-[(3-aminocyclohexyl)amino]-N-(2-methylpropyl)propanamide has a molecular weight of 241.38 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminocyclohexyl)amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 113409721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).