2-(aminomethyl)-N-(2-cyanoethyl)-N-cyclopropyl-3-methylbutanamide

C12H21N3O — CID 65227520

IUPAC2-(aminomethyl)-N-(2-cyanoethyl)-N-cyclopropyl-3-methylbutanamide
SMILESCC(C)C(CN)C(=O)N(CCC#N)C1CC1
InChIInChI=1S/C12H21N3O/c1-9(2)11(8-14)12(16)15(7-3-6-13)10-4-5-10/h9-11H,3-5,7-8,14H2,1-2H3
InChIKeyQQFOYTDRAIGERQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.12
Rot. Bonds6

About 2-(aminomethyl)-N-(2-cyanoethyl)-N-cyclopropyl-3-methylbutanamide

2-(aminomethyl)-N-(2-cyanoethyl)-N-cyclopropyl-3-methylbutanamide (PubChem CID 65227520) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-cyanoethyl)-N-cyclopropyl-3-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-cyanoethyl)-N-cyclopropyl-3-methylbutanamide
PubChem CID65227520
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(aminomethyl)-N-(2-cyanoethyl)-N-cyclopropyl-3-methylbutanamide
SMILESCC(C)C(CN)C(=O)N(CCC#N)C1CC1
InChIInChI=1S/C12H21N3O/c1-9(2)11(8-14)12(16)15(7-3-6-13)10-4-5-10/h9-11H,3-5,7-8,14H2,1-2H3
InChIKeyQQFOYTDRAIGERQ-UHFFFAOYSA-N
XLogP1.12
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-methylpentanamide
CID 61157435
N-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)-2-methylpropanamide
CID 62854021
2-amino-N-(2-cyanoethyl)-N-cyclopropyl-2-methylpropanamide
CID 61266827
2-(aminomethyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 65230166
2-acetamido-N-(2-cyanoethyl)-N-cyclopropyl-3-sulfanylpropanamide
CID 107769334
2-(aminomethyl)-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide
CID 65227548
2-chloro-N-(2-cyanoethyl)-N-cyclopropylacetamide
CID 61038565
2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide
CID 65229877
N-(2-cyanoethyl)-N-cyclopropyl-2-phenylbutanamide
CID 54997695
2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-cyclopropylacetamide
CID 61040136
2-amino-N-(2-cyanoethyl)-N-cyclopropyl-2-methylbutanamide
CID 79804827
2-(aminomethyl)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-3-methylbutanamide
CID 65227497

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-cyanoethyl)-N-cyclopropyl-3-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(2-cyanoethyl)-N-cyclopropyl-3-methylbutanamide (CID 65227520) is 2-(aminomethyl)-N-(2-cyanoethyl)-N-cyclopropyl-3-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-cyanoethyl)-N-cyclopropyl-3-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-cyanoethyl)-N-cyclopropyl-3-methylbutanamide is CC(C)C(CN)C(=O)N(CCC#N)C1CC1.
What is the InChIKey of 2-(aminomethyl)-N-(2-cyanoethyl)-N-cyclopropyl-3-methylbutanamide?
The InChIKey is QQFOYTDRAIGERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)11(8-14)12(16)15(7-3-6-13)10-4-5-10/h9-11H,3-5,7-8,14H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-(2-cyanoethyl)-N-cyclopropyl-3-methylbutanamide?
2-(aminomethyl)-N-(2-cyanoethyl)-N-cyclopropyl-3-methylbutanamide has a molecular weight of 223.32 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-cyanoethyl)-N-cyclopropyl-3-methylbutanamide is sourced from PubChem (CID 65227520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).