1-[1-(aminomethyl)cyclobutyl]-N,N,2,2-tetramethylpropan-1-amine

C12H26N2 — CID 116912483

IUPAC1-[1-(aminomethyl)cyclobutyl]-N,N,2,2-tetramethylpropan-1-amine
SMILESCN(C)C(C(C)(C)C)C1(CN)CCC1
InChIInChI=1S/C12H26N2/c1-11(2,3)10(14(4)5)12(9-13)7-6-8-12/h10H,6-9,13H2,1-5H3
InChIKeyIWXYOFGSGUBNCD-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.09
Rot. Bonds3

About 1-[1-(aminomethyl)cyclobutyl]-N,N,2,2-tetramethylpropan-1-amine

1-[1-(aminomethyl)cyclobutyl]-N,N,2,2-tetramethylpropan-1-amine (PubChem CID 116912483) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclobutyl]-N,N,2,2-tetramethylpropan-1-amine.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclobutyl]-N,N,2,2-tetramethylpropan-1-amine
PubChem CID116912483
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-[1-(aminomethyl)cyclobutyl]-N,N,2,2-tetramethylpropan-1-amine
SMILESCN(C)C(C(C)(C)C)C1(CN)CCC1
InChIInChI=1S/C12H26N2/c1-11(2,3)10(14(4)5)12(9-13)7-6-8-12/h10H,6-9,13H2,1-5H3
InChIKeyIWXYOFGSGUBNCD-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)cyclobutyl]-1-(4-ethylphenyl)-N,N-dimethylmethanamine
CID 116912489
1-[1-(aminomethyl)cycloheptyl]-2-methylpropan-1-ol
CID 79138126
3-[1-(aminomethyl)cyclobutyl]butan-1-ol
CID 71758156
[1-(aminomethyl)cyclobutyl]-(2,2-dimethylcyclopropyl)methanol
CID 165443186
1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N,N-dimethylmethanamine
CID 116912535
[1-(aminomethyl)cyclopropyl]-(1-methylcyclobutyl)methanol
CID 165445368
[4-(3-methylbutan-2-yl)oxan-4-yl]methanamine
CID 130647540
1-(1-amino-2,2-dimethylpropyl)-N,N-dimethylcycloheptan-1-amine
CID 79081680
1-[1-(aminomethyl)cyclobutyl]-3-methylsulfanylpropan-1-ol
CID 79138497
1-[1-(aminomethyl)cyclobutyl]-3-cyclopropylpropan-1-ol
CID 165447050
1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylcyclopentan-1-amine
CID 65045048
2-[1-(aminomethyl)cycloheptyl]-2-hydroxyacetaldehyde
CID 79123517

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-N,N,2,2-tetramethylpropan-1-amine?
The IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-N,N,2,2-tetramethylpropan-1-amine (CID 116912483) is 1-[1-(aminomethyl)cyclobutyl]-N,N,2,2-tetramethylpropan-1-amine.
What is the SMILES notation for 1-[1-(aminomethyl)cyclobutyl]-N,N,2,2-tetramethylpropan-1-amine?
The canonical SMILES for 1-[1-(aminomethyl)cyclobutyl]-N,N,2,2-tetramethylpropan-1-amine is CN(C)C(C(C)(C)C)C1(CN)CCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclobutyl]-N,N,2,2-tetramethylpropan-1-amine?
The InChIKey is IWXYOFGSGUBNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-11(2,3)10(14(4)5)12(9-13)7-6-8-12/h10H,6-9,13H2,1-5H3.
What are the key properties of 1-[1-(aminomethyl)cyclobutyl]-N,N,2,2-tetramethylpropan-1-amine?
1-[1-(aminomethyl)cyclobutyl]-N,N,2,2-tetramethylpropan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclobutyl]-N,N,2,2-tetramethylpropan-1-amine is sourced from PubChem (CID 116912483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).