3-(aminomethyl)-N-cyclopropyl-N-ethylpentanamide

C11H22N2O — CID 81070792

IUPAC3-(aminomethyl)-N-cyclopropyl-N-ethylpentanamide
SMILESCCC(CN)CC(=O)N(CC)C1CC1
InChIInChI=1S/C11H22N2O/c1-3-9(8-12)7-11(14)13(4-2)10-5-6-10/h9-10H,3-8,12H2,1-2H3
InChIKeyQBSBTFHPMYMTGD-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.37
Rot. Bonds6

About 3-(aminomethyl)-N-cyclopropyl-N-ethylpentanamide

3-(aminomethyl)-N-cyclopropyl-N-ethylpentanamide (PubChem CID 81070792) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-(aminomethyl)-N-cyclopropyl-N-ethylpentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-cyclopropyl-N-ethylpentanamide
PubChem CID81070792
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-(aminomethyl)-N-cyclopropyl-N-ethylpentanamide
SMILESCCC(CN)CC(=O)N(CC)C1CC1
InChIInChI=1S/C11H22N2O/c1-3-9(8-12)7-11(14)13(4-2)10-5-6-10/h9-10H,3-8,12H2,1-2H3
InChIKeyQBSBTFHPMYMTGD-UHFFFAOYSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)pentanamide
CID 81086894
3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pentanamide
CID 81087169
3-(aminomethyl)-N-butan-2-yl-N-methylpentanamide
CID 81072118
3-(aminomethyl)-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one
CID 81071625
2-[2-aminoethyl(propan-2-yl)amino]-N-cyclopropyl-N-ethylacetamide
CID 61488181
3-(aminomethyl)-1-cyclohexylpentan-1-one
CID 116596160
3-[cyclopropyl(ethyl)amino]-3-oxopropanoic acid
CID 62231745
3-(aminomethyl)-N-(2-cyclopropylethyl)pentanamide
CID 81080317
N-cyclopropyl-N-ethyl-3-piperidin-4-ylbutanamide
CID 119718930
N-ethyl-3-methyl-N-piperidin-4-ylbutanamide
CID 60806063
3-ethyl-N-piperidin-4-yl-N-propylpentanamide;hydrochloride
CID 119824289
2-amino-N-cyclopropyl-N-ethylpropanamide
CID 43264257

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-cyclopropyl-N-ethylpentanamide?
The IUPAC name of 3-(aminomethyl)-N-cyclopropyl-N-ethylpentanamide (CID 81070792) is 3-(aminomethyl)-N-cyclopropyl-N-ethylpentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-cyclopropyl-N-ethylpentanamide?
The canonical SMILES for 3-(aminomethyl)-N-cyclopropyl-N-ethylpentanamide is CCC(CN)CC(=O)N(CC)C1CC1.
What is the InChIKey of 3-(aminomethyl)-N-cyclopropyl-N-ethylpentanamide?
The InChIKey is QBSBTFHPMYMTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-9(8-12)7-11(14)13(4-2)10-5-6-10/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-cyclopropyl-N-ethylpentanamide?
3-(aminomethyl)-N-cyclopropyl-N-ethylpentanamide has a molecular weight of 198.31 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-cyclopropyl-N-ethylpentanamide is sourced from PubChem (CID 81070792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).