3-[[(1R)-1-cycloheptylethyl]amino]-N-ethylpropanamide

C14H28N2O — CID 81392911

IUPAC3-[[(1R)-1-cycloheptylethyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)CCN[C@H](C)C1CCCCCC1
InChIInChI=1S/C14H28N2O/c1-3-15-14(17)10-11-16-12(2)13-8-6-4-5-7-9-13/h12-13,16H,3-11H2,1-2H3,(H,15,17)/t12-/m1/s1
InChIKeyKPNRNMRFSJZAIF-GFCCVEGCSA-N
MW240.39 g/mol
LogP2.46
Rot. Bonds6

About 3-[[(1R)-1-cycloheptylethyl]amino]-N-ethylpropanamide

3-[[(1R)-1-cycloheptylethyl]amino]-N-ethylpropanamide (PubChem CID 81392911) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-[[(1R)-1-cycloheptylethyl]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[[(1R)-1-cycloheptylethyl]amino]-N-ethylpropanamide
PubChem CID81392911
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-[[(1R)-1-cycloheptylethyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)CCN[C@H](C)C1CCCCCC1
InChIInChI=1S/C14H28N2O/c1-3-15-14(17)10-11-16-12(2)13-8-6-4-5-7-9-13/h12-13,16H,3-11H2,1-2H3,(H,15,17)/t12-/m1/s1
InChIKeyKPNRNMRFSJZAIF-GFCCVEGCSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1-cyclohexylethyl]amino]-N-ethylacetamide
CID 81385685
3-(1-cyclopentylethylamino)-N-(2-methoxyethyl)propanamide
CID 112700250
2-[[(1R)-1-cycloheptylethyl]amino]-N-propylacetamide
CID 81393570
4-(1-cyclohexylethylamino)-N-cyclopropylbutanamide
CID 79394923
N-[(1R)-1-cycloheptylethyl]propan-1-amine
CID 81393503
N-[(1S)-1-cycloheptylethyl]-3-methylbut-3-en-1-amine
CID 104929557
N-(1-cyclohexylethyl)-3-methylbut-3-en-1-amine
CID 114449114
tert-butyl 3-(1-cyclohexylethylamino)propanoate
CID 103729841
N-butyl-2-[[(1R)-1-cyclohexylethyl]amino]acetamide
CID 81384625
2-(1-cyclopentylethylamino)ethylurea
CID 83111257
2-[2-(1-cyclopropylethylamino)ethylsulfonyl]-N-ethylacetamide
CID 114232524
N-(1-cyclopentylethyl)propan-1-amine
CID 60819417

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-cycloheptylethyl]amino]-N-ethylpropanamide?
The IUPAC name of 3-[[(1R)-1-cycloheptylethyl]amino]-N-ethylpropanamide (CID 81392911) is 3-[[(1R)-1-cycloheptylethyl]amino]-N-ethylpropanamide.
What is the SMILES notation for 3-[[(1R)-1-cycloheptylethyl]amino]-N-ethylpropanamide?
The canonical SMILES for 3-[[(1R)-1-cycloheptylethyl]amino]-N-ethylpropanamide is CCNC(=O)CCN[C@H](C)C1CCCCCC1.
What is the InChIKey of 3-[[(1R)-1-cycloheptylethyl]amino]-N-ethylpropanamide?
The InChIKey is KPNRNMRFSJZAIF-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-15-14(17)10-11-16-12(2)13-8-6-4-5-7-9-13/h12-13,16H,3-11H2,1-2H3,(H,15,17)/t12-/m1/s1.
What are the key properties of 3-[[(1R)-1-cycloheptylethyl]amino]-N-ethylpropanamide?
3-[[(1R)-1-cycloheptylethyl]amino]-N-ethylpropanamide has a molecular weight of 240.39 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-cycloheptylethyl]amino]-N-ethylpropanamide is sourced from PubChem (CID 81392911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).