1-N-methyl-1-N-(2-phenylethyl)cyclobutane-1,3-diamine

C13H20N2 — CID 80561805

IUPAC1-N-methyl-1-N-(2-phenylethyl)cyclobutane-1,3-diamine
SMILESCN(CCc1ccccc1)C1CC(N)C1
InChIInChI=1S/C13H20N2/c1-15(13-9-12(14)10-13)8-7-11-5-3-2-4-6-11/h2-6,12-13H,7-10,14H2,1H3
InChIKeyVBJQMCHMIZTXCB-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.65
Rot. Bonds4

About 1-N-methyl-1-N-(2-phenylethyl)cyclobutane-1,3-diamine

1-N-methyl-1-N-(2-phenylethyl)cyclobutane-1,3-diamine (PubChem CID 80561805) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-N-methyl-1-N-(2-phenylethyl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(2-phenylethyl)cyclobutane-1,3-diamine
PubChem CID80561805
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-N-methyl-1-N-(2-phenylethyl)cyclobutane-1,3-diamine
SMILESCN(CCc1ccccc1)C1CC(N)C1
InChIInChI=1S/C13H20N2/c1-15(13-9-12(14)10-13)8-7-11-5-3-2-4-6-11/h2-6,12-13H,7-10,14H2,1H3
InChIKeyVBJQMCHMIZTXCB-UHFFFAOYSA-N
XLogP1.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-methyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine
CID 79121272
3-amino-N-methyl-N-(2-phenylethyl)cyclobutane-1-carboxamide
CID 115161711
2-N,4-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine
CID 65486260
N,N-dimethyl-2-phenylethanamine;hydrazine
CID 159470324
N-methyl-N-(2-phenylethyl)azepan-4-amine
CID 65486182
1-methyl-1-(2-phenylethyl)hydrazine;hydrochloride
CID 46929951
2-amino-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride
CID 23285133
(8S)-N-methyl-N-(2-phenylethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine
CID 73349361
1-cyclobutyl-N-methyl-N-(2-phenylethyl)piperidin-3-amine
CID 45174783
trans-(1R,2R)-1-N,2-N-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine
CID 96587905
2-[[methyl(2-phenylethyl)amino]methyl]cyclopentan-1-amine
CID 65487102
4-[methyl(2-phenylethyl)amino]pyrrolidin-3-ol
CID 65487607

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(2-phenylethyl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-methyl-1-N-(2-phenylethyl)cyclobutane-1,3-diamine (CID 80561805) is 1-N-methyl-1-N-(2-phenylethyl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(2-phenylethyl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-methyl-1-N-(2-phenylethyl)cyclobutane-1,3-diamine is CN(CCc1ccccc1)C1CC(N)C1.
What is the InChIKey of 1-N-methyl-1-N-(2-phenylethyl)cyclobutane-1,3-diamine?
The InChIKey is VBJQMCHMIZTXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-15(13-9-12(14)10-13)8-7-11-5-3-2-4-6-11/h2-6,12-13H,7-10,14H2,1H3.
What are the key properties of 1-N-methyl-1-N-(2-phenylethyl)cyclobutane-1,3-diamine?
1-N-methyl-1-N-(2-phenylethyl)cyclobutane-1,3-diamine has a molecular weight of 204.32 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(2-phenylethyl)cyclobutane-1,3-diamine is sourced from PubChem (CID 80561805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).