1-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclopropane-1-carboxamide

C11H19N3O — CID 115452269

IUPAC1-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)N(CCC#N)C(=O)C1(CN)CC1
InChIInChI=1S/C11H19N3O/c1-9(2)14(7-3-6-12)10(15)11(8-13)4-5-11/h9H,3-5,7-8,13H2,1-2H3
InChIKeyPZAWXHDPIIAOKN-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.88
Rot. Bonds5

About 1-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclopropane-1-carboxamide

1-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclopropane-1-carboxamide (PubChem CID 115452269) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclopropane-1-carboxamide
PubChem CID115452269
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)N(CCC#N)C(=O)C1(CN)CC1
InChIInChI=1S/C11H19N3O/c1-9(2)14(7-3-6-12)10(15)11(8-13)4-5-11/h9H,3-5,7-8,13H2,1-2H3
InChIKeyPZAWXHDPIIAOKN-UHFFFAOYSA-N
XLogP0.88
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide
CID 63128126
N-(2-cyanoethyl)-N-propan-2-yl-4-propylpiperidine-4-carboxamide
CID 63128127
1-(aminomethyl)-N-(2-cyanoethyl)-N-methylcyclopentane-1-carboxamide
CID 115434739
N-(2-cyanoethyl)-4-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 63121904
1-(aminomethyl)-N-(2-cyanoethyl)-N-methylcyclohexane-1-carboxamide
CID 115437189
1-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclobutane-1-carboxamide
CID 82947993
2-(1-aminocyclopentyl)-N-(2-cyanoethyl)-N-propan-2-ylacetamide
CID 64685385
4-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 79526805
4-amino-N-(2-cyanoethyl)-3-methyl-N-propan-2-ylbutanamide
CID 81071767
N-(2-cyanoethyl)-N-propan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107026383
N-(2-cyanoethyl)-N-propan-2-yl-2-sulfanylpropanamide
CID 107026385
1-[2-cyanoethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124654

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclopropane-1-carboxamide (CID 115452269) is 1-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclopropane-1-carboxamide is CC(C)N(CCC#N)C(=O)C1(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclopropane-1-carboxamide?
The InChIKey is PZAWXHDPIIAOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(2)14(7-3-6-12)10(15)11(8-13)4-5-11/h9H,3-5,7-8,13H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclopropane-1-carboxamide?
1-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclopropane-1-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 115452269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).