1-(aminomethyl)-N-(2-cyanopropyl)cyclopropane-1-carboxamide

C9H15N3O — CID 115453313

IUPAC1-(aminomethyl)-N-(2-cyanopropyl)cyclopropane-1-carboxamide
SMILESCC(C#N)CNC(=O)C1(CN)CC1
InChIInChI=1S/C9H15N3O/c1-7(4-10)5-12-8(13)9(6-11)2-3-9/h7H,2-3,5-6,11H2,1H3,(H,12,13)
InChIKeyJOOKGSUICJBZHT-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.00
Rot. Bonds4

About 1-(aminomethyl)-N-(2-cyanopropyl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-(2-cyanopropyl)cyclopropane-1-carboxamide (PubChem CID 115453313) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-cyanopropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-cyanopropyl)cyclopropane-1-carboxamide
PubChem CID115453313
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-(aminomethyl)-N-(2-cyanopropyl)cyclopropane-1-carboxamide
SMILESCC(C#N)CNC(=O)C1(CN)CC1
InChIInChI=1S/C9H15N3O/c1-7(4-10)5-12-8(13)9(6-11)2-3-9/h7H,2-3,5-6,11H2,1H3,(H,12,13)
InChIKeyJOOKGSUICJBZHT-UHFFFAOYSA-N
XLogP0.00
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[2-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 80587365
N-(2-cyanopropyl)-1-methylcyclobutane-1-carboxamide
CID 127001216
1-(aminomethyl)-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 107221086
1-(aminomethyl)-N-(2,3-dihydroxypropyl)cyclopropane-1-carboxamide
CID 115453464
N-(3-amino-2-hydroxy-3-oxopropyl)-1-(aminomethyl)cyclopropane-1-carboxamide
CID 106175617
2,2-dichloro-N-(2-cyanopropyl)-1-methylcyclopropane-1-carboxamide
CID 56804757
N-(2-cyanopropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980594
(2R)-2-amino-N-(2-cyanopropyl)propanamide
CID 78991396
1-(aminomethyl)-N-(2,2-difluoroethyl)cyclobutane-1-carboxamide
CID 115406460
1-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)cycloheptane-1-carboxamide
CID 107152969
1-(aminomethyl)-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide
CID 115406466
1-(aminomethyl)-N-(4-methyl-2-morpholin-4-ylpentyl)cyclopropane-1-carboxamide
CID 115453115

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-cyanopropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2-cyanopropyl)cyclopropane-1-carboxamide (CID 115453313) is 1-(aminomethyl)-N-(2-cyanopropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2-cyanopropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2-cyanopropyl)cyclopropane-1-carboxamide is CC(C#N)CNC(=O)C1(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-cyanopropyl)cyclopropane-1-carboxamide?
The InChIKey is JOOKGSUICJBZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(4-10)5-12-8(13)9(6-11)2-3-9/h7H,2-3,5-6,11H2,1H3,(H,12,13).
What are the key properties of 1-(aminomethyl)-N-(2-cyanopropyl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-(2-cyanopropyl)cyclopropane-1-carboxamide has a molecular weight of 181.24 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-cyanopropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115453313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).