N,N-dimethyl-1-[(2-methylidenebutylamino)methyl]cyclobutan-1-amine

C12H24N2 — CID 105416854

IUPACN,N-dimethyl-1-[(2-methylidenebutylamino)methyl]cyclobutan-1-amine
SMILESC=C(CC)CNCC1(N(C)C)CCC1
InChIInChI=1S/C12H24N2/c1-5-11(2)9-13-10-12(14(3)4)7-6-8-12/h13H,2,5-10H2,1,3-4H3
InChIKeyNFQKAOQESLPKKV-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.03
Rot. Bonds6

About N,N-dimethyl-1-[(2-methylidenebutylamino)methyl]cyclobutan-1-amine

N,N-dimethyl-1-[(2-methylidenebutylamino)methyl]cyclobutan-1-amine (PubChem CID 105416854) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N,N-dimethyl-1-[(2-methylidenebutylamino)methyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(2-methylidenebutylamino)methyl]cyclobutan-1-amine
PubChem CID105416854
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN,N-dimethyl-1-[(2-methylidenebutylamino)methyl]cyclobutan-1-amine
SMILESC=C(CC)CNCC1(N(C)C)CCC1
InChIInChI=1S/C12H24N2/c1-5-11(2)9-13-10-12(14(3)4)7-6-8-12/h13H,2,5-10H2,1,3-4H3
InChIKeyNFQKAOQESLPKKV-UHFFFAOYSA-N
XLogP2.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-bromoprop-2-enylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 83121523
N-cyclopropyl-2-[[1-(dimethylamino)cyclopentyl]methylamino]acetamide
CID 78915425
N-cycloheptyl-2-[[1-(dimethylamino)cyclopentyl]methylamino]acetamide
CID 78915214
tert-butyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]acetate
CID 105416864
propan-2-yl 2-[[1-(dimethylamino)cyclobutyl]methylamino]acetate
CID 105416997
N-carbamoyl-2-[[1-(dimethylamino)cyclopentyl]methylamino]acetamide
CID 78915468
1-(azepan-1-yl)-2-[[1-(dimethylamino)cyclopentyl]methylamino]ethanone
CID 78915392
3-[[1-(dimethylamino)cyclobutyl]methylamino]propanoic acid
CID 105416372
2-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-ethylbutan-1-ol
CID 81412002
methyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate
CID 105415620
(2S)-3-[[1-(dimethylamino)cyclopentyl]methylamino]propane-1,2-diol
CID 83120398
N-[[1-(dimethylamino)cyclobutyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 105416972

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(2-methylidenebutylamino)methyl]cyclobutan-1-amine?
The IUPAC name of N,N-dimethyl-1-[(2-methylidenebutylamino)methyl]cyclobutan-1-amine (CID 105416854) is N,N-dimethyl-1-[(2-methylidenebutylamino)methyl]cyclobutan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[(2-methylidenebutylamino)methyl]cyclobutan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[(2-methylidenebutylamino)methyl]cyclobutan-1-amine is C=C(CC)CNCC1(N(C)C)CCC1.
What is the InChIKey of N,N-dimethyl-1-[(2-methylidenebutylamino)methyl]cyclobutan-1-amine?
The InChIKey is NFQKAOQESLPKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-11(2)9-13-10-12(14(3)4)7-6-8-12/h13H,2,5-10H2,1,3-4H3.
What are the key properties of N,N-dimethyl-1-[(2-methylidenebutylamino)methyl]cyclobutan-1-amine?
N,N-dimethyl-1-[(2-methylidenebutylamino)methyl]cyclobutan-1-amine has a molecular weight of 196.34 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(2-methylidenebutylamino)methyl]cyclobutan-1-amine is sourced from PubChem (CID 105416854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).