2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanenitrile

C12H23N3 — CID 105414725

IUPAC2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanenitrile
SMILESCCC(C#N)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C12H23N3/c1-5-11(9-13)15(4)10-12(14(2)3)7-6-8-12/h11H,5-8,10H2,1-4H3
InChIKeyRWNFLSIPLAASTM-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.70
Rot. Bonds5

About 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanenitrile

2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanenitrile (PubChem CID 105414725) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanenitrile.

Molecular Properties

Compound Name2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanenitrile
PubChem CID105414725
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanenitrile
SMILESCCC(C#N)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C12H23N3/c1-5-11(9-13)15(4)10-12(14(2)3)7-6-8-12/h11H,5-8,10H2,1-4H3
InChIKeyRWNFLSIPLAASTM-UHFFFAOYSA-N
XLogP1.70
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-1-amine
CID 176568551
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanenitrile
CID 105416581
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine
CID 105418216
3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-phenylpropanenitrile
CID 105414729
3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N,4-N-dimethylheptane-3,4-diamine
CID 105414348
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-ethyl-2-N-methylpentane-1,2-diamine
CID 105418038
3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methyl-4-N-propylheptane-3,4-diamine
CID 105414347
1-N-tert-butyl-3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methylbutane-1,3-diamine
CID 105418002
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]propanamide
CID 105416404
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103227382
1-cyclopropyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethane-1,2-diamine
CID 105413933
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]butane-1-thiol
CID 105418791

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanenitrile?
The IUPAC name of 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanenitrile (CID 105414725) is 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanenitrile.
What is the SMILES notation for 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanenitrile?
The canonical SMILES for 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanenitrile is CCC(C#N)N(C)CC1(N(C)C)CCC1.
What is the InChIKey of 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanenitrile?
The InChIKey is RWNFLSIPLAASTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-11(9-13)15(4)10-12(14(2)3)7-6-8-12/h11H,5-8,10H2,1-4H3.
What are the key properties of 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanenitrile?
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanenitrile has a molecular weight of 209.34 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanenitrile is sourced from PubChem (CID 105414725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).