1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile

C11H19N3 — CID 115245097

IUPAC1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile
SMILESCN1CCC(NCC2(C#N)CCC2)C1
InChIInChI=1S/C11H19N3/c1-14-6-3-10(7-14)13-9-11(8-12)4-2-5-11/h10,13H,2-7,9H2,1H3
InChIKeyIMTGVDKYBNHTHK-UHFFFAOYSA-N
MW193.29 g/mol
LogP0.97
Rot. Bonds3

About 1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile

1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile (PubChem CID 115245097) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile
PubChem CID115245097
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile
SMILESCN1CCC(NCC2(C#N)CCC2)C1
InChIInChI=1S/C11H19N3/c1-14-6-3-10(7-14)13-9-11(8-12)4-2-5-11/h10,13H,2-7,9H2,1H3
InChIKeyIMTGVDKYBNHTHK-UHFFFAOYSA-N
XLogP0.97
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(cyclobutylamino)methyl]cyclopentane-1-carbonitrile
CID 164656544
1-[(oxan-4-ylamino)methyl]cyclobutane-1-carbonitrile
CID 115245088
1-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]pyrrolidin-3-amine
CID 115244573
N-[[1-(fluoromethyl)cyclopropyl]methyl]-1-methylpyrrolidin-3-amine
CID 167504083
4-ethyl-1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclohexan-1-ol
CID 65116040
1-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile
CID 115245215
1-methyl-N-[(1-methylcyclopropyl)methyl]piperidin-3-amine
CID 107165978
N-[(3-fluoropiperidin-3-yl)methyl]-1-methylpyrrolidin-3-amine
CID 105469159
2-[(1-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone
CID 61462383
ethane;N-ethyl-1-methylpyrrolidin-3-amine
CID 145338055
[(1-methylpyrrolidin-3-yl)amino]methanethiol
CID 115227697
1-[[(1-methylpiperidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 60910236

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile (CID 115245097) is 1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile is CN1CCC(NCC2(C#N)CCC2)C1.
What is the InChIKey of 1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile?
The InChIKey is IMTGVDKYBNHTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-14-6-3-10(7-14)13-9-11(8-12)4-2-5-11/h10,13H,2-7,9H2,1H3.
What are the key properties of 1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile?
1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile has a molecular weight of 193.29 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 115245097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).