N-(2-aminocyclohexyl)propanamide

C9H18N2O — CID 61036997

IUPACN-(2-aminocyclohexyl)propanamide
SMILESCCC(=O)NC1CCCCC1N
InChIInChI=1S/C9H18N2O/c1-2-9(12)11-8-6-4-3-5-7(8)10/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyDVNNIOJGSOGTTJ-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.78
Rot. Bonds2

About N-(2-aminocyclohexyl)propanamide

N-(2-aminocyclohexyl)propanamide (PubChem CID 61036997) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)propanamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)propanamide
PubChem CID61036997
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-(2-aminocyclohexyl)propanamide
SMILESCCC(=O)NC1CCCCC1N
InChIInChI=1S/C9H18N2O/c1-2-9(12)11-8-6-4-3-5-7(8)10/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyDVNNIOJGSOGTTJ-UHFFFAOYSA-N
XLogP0.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminocyclohexyl)-2-(methylamino)acetamide
CID 130622235
N-[(1R,2R)-2-aminocyclohexyl]-2-methylsulfanylacetamide
CID 93452012
N-[(1R,2R)-2-aminocyclohexyl]decanamide
CID 103805740
N-(2-aminocyclohexyl)-3-methylpentanamide
CID 114875574
N-[(1R,2R)-2-aminocyclohexyl]nonanamide
CID 103805764
N-[(1R,2R)-2-aminocyclohexyl]-3-ethoxypropanamide
CID 103805745
4-[(2-aminocyclohexyl)amino]-2,2-diethyl-4-oxobutanoic acid
CID 61403433
N-(2-aminocyclopentyl)-2-cyclohexylacetamide
CID 63251405
N-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoropropanamide
CID 93451955
N-[(1R,2R)-2-aminocyclohexyl]but-3-enamide
CID 94547428
N-[(1R,2R)-2-aminocyclohexyl]-2-methylbutanamide
CID 103805727
N-(2-aminocyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603334

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)propanamide?
The IUPAC name of N-(2-aminocyclohexyl)propanamide (CID 61036997) is N-(2-aminocyclohexyl)propanamide.
What is the SMILES notation for N-(2-aminocyclohexyl)propanamide?
The canonical SMILES for N-(2-aminocyclohexyl)propanamide is CCC(=O)NC1CCCCC1N.
What is the InChIKey of N-(2-aminocyclohexyl)propanamide?
The InChIKey is DVNNIOJGSOGTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-9(12)11-8-6-4-3-5-7(8)10/h7-8H,2-6,10H2,1H3,(H,11,12).
What are the key properties of N-(2-aminocyclohexyl)propanamide?
N-(2-aminocyclohexyl)propanamide has a molecular weight of 170.26 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)propanamide is sourced from PubChem (CID 61036997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).