2-amino-N-(cyanomethyl)-1-methylcyclopentane-1-carboxamide

C9H15N3O — CID 82767784

IUPAC2-amino-N-(cyanomethyl)-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NCC#N)CCCC1N
InChIInChI=1S/C9H15N3O/c1-9(4-2-3-7(9)11)8(13)12-6-5-10/h7H,2-4,6,11H2,1H3,(H,12,13)
InChIKeyFFWWQPATNOTUIZ-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.14
Rot. Bonds2

About 2-amino-N-(cyanomethyl)-1-methylcyclopentane-1-carboxamide

2-amino-N-(cyanomethyl)-1-methylcyclopentane-1-carboxamide (PubChem CID 82767784) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-amino-N-(cyanomethyl)-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(cyanomethyl)-1-methylcyclopentane-1-carboxamide
PubChem CID82767784
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-amino-N-(cyanomethyl)-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NCC#N)CCCC1N
InChIInChI=1S/C9H15N3O/c1-9(4-2-3-7(9)11)8(13)12-6-5-10/h7H,2-4,6,11H2,1H3,(H,12,13)
InChIKeyFFWWQPATNOTUIZ-UHFFFAOYSA-N
XLogP0.14
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(4-cyanobutyl)-1-methylcyclopentane-1-carboxamide
CID 82768534
2-amino-1-methyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 82766043
2-amino-N-(4-aminobutyl)-1-methylcyclopentane-1-carboxamide
CID 82767781
2-amino-N-(2,3-dihydroxypropyl)-1-methylcyclopentane-1-carboxamide
CID 82768544
2-amino-N-(2-ethoxyethyl)-1-methylcyclopentane-1-carboxamide
CID 82764809
2-amino-1-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide
CID 82763901
N-(1-adamantylmethyl)-2-amino-1-methylcyclopentane-1-carboxamide
CID 82758318
2-amino-N-(3-ethylpentan-3-yl)-1-methylcyclopentane-1-carboxamide
CID 82767363
2-amino-1-methyl-N-prop-2-enylcyclohexane-1-carboxamide
CID 130645619
2-amino-N-[(4-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 114332102
2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide
CID 106254673
2-amino-N-[(4-bromophenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 82763604

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(cyanomethyl)-1-methylcyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-(cyanomethyl)-1-methylcyclopentane-1-carboxamide (CID 82767784) is 2-amino-N-(cyanomethyl)-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(cyanomethyl)-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-(cyanomethyl)-1-methylcyclopentane-1-carboxamide is CC1(C(=O)NCC#N)CCCC1N.
What is the InChIKey of 2-amino-N-(cyanomethyl)-1-methylcyclopentane-1-carboxamide?
The InChIKey is FFWWQPATNOTUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(4-2-3-7(9)11)8(13)12-6-5-10/h7H,2-4,6,11H2,1H3,(H,12,13).
What are the key properties of 2-amino-N-(cyanomethyl)-1-methylcyclopentane-1-carboxamide?
2-amino-N-(cyanomethyl)-1-methylcyclopentane-1-carboxamide has a molecular weight of 181.24 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(cyanomethyl)-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 82767784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).