1-(aminomethyl)-N,3-dimethyl-N-(2-methylbutyl)cyclobutan-1-amine

C12H26N2 — CID 103562600

IUPAC1-(aminomethyl)-N,3-dimethyl-N-(2-methylbutyl)cyclobutan-1-amine
SMILESCCC(C)CN(C)C1(CN)CC(C)C1
InChIInChI=1S/C12H26N2/c1-5-10(2)8-14(4)12(9-13)6-11(3)7-12/h10-11H,5-9,13H2,1-4H3
InChIKeyXXGQJSGBSAVVRH-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.09
Rot. Bonds5

About 1-(aminomethyl)-N,3-dimethyl-N-(2-methylbutyl)cyclobutan-1-amine

1-(aminomethyl)-N,3-dimethyl-N-(2-methylbutyl)cyclobutan-1-amine (PubChem CID 103562600) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-(aminomethyl)-N,3-dimethyl-N-(2-methylbutyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,3-dimethyl-N-(2-methylbutyl)cyclobutan-1-amine
PubChem CID103562600
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-(aminomethyl)-N,3-dimethyl-N-(2-methylbutyl)cyclobutan-1-amine
SMILESCCC(C)CN(C)C1(CN)CC(C)C1
InChIInChI=1S/C12H26N2/c1-5-10(2)8-14(4)12(9-13)6-11(3)7-12/h10-11H,5-9,13H2,1-4H3
InChIKeyXXGQJSGBSAVVRH-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-(aminomethyl)-N,4-dimethyl-N-(2-methylbutyl)cycloheptan-1-amine
CID 65084874
1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(2-methylbutyl)cyclohexan-1-amine
CID 112682327
8-(aminomethyl)-N-methyl-N-(2-methylbutyl)spiro[4.5]decan-8-amine
CID 114818035
3-(aminomethyl)-N-methyl-N-(2-methylbutyl)thiolan-3-amine
CID 43295596
4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)oxan-4-amine
CID 79476725
1-(aminomethyl)-4-methyl-N-(2-methylbutyl)-N-propylcyclohexan-1-amine
CID 63487333
1-(aminomethyl)-N-(2,2-difluoroethyl)-N,3-dimethylcyclohexan-1-amine
CID 62007114
1-(aminomethyl)-N,2,2-trimethyl-N-(2-methylbutyl)cyclopentan-1-amine
CID 79858006
1-(aminomethyl)-N,3,3,5-tetramethyl-N-pentan-2-ylcyclohexan-1-amine
CID 43571901
N-[1-(aminomethyl)-3-methylcyclobutyl]-N,2-dimethyloxolan-3-amine
CID 103563096
1-(aminomethyl)-N,3-dimethyl-N-pentan-2-ylcyclopentan-1-amine
CID 64501372
2-N-[1-(aminomethyl)-3-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188208

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,3-dimethyl-N-(2-methylbutyl)cyclobutan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,3-dimethyl-N-(2-methylbutyl)cyclobutan-1-amine (CID 103562600) is 1-(aminomethyl)-N,3-dimethyl-N-(2-methylbutyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,3-dimethyl-N-(2-methylbutyl)cyclobutan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,3-dimethyl-N-(2-methylbutyl)cyclobutan-1-amine is CCC(C)CN(C)C1(CN)CC(C)C1.
What is the InChIKey of 1-(aminomethyl)-N,3-dimethyl-N-(2-methylbutyl)cyclobutan-1-amine?
The InChIKey is XXGQJSGBSAVVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-10(2)8-14(4)12(9-13)6-11(3)7-12/h10-11H,5-9,13H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N,3-dimethyl-N-(2-methylbutyl)cyclobutan-1-amine?
1-(aminomethyl)-N,3-dimethyl-N-(2-methylbutyl)cyclobutan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,3-dimethyl-N-(2-methylbutyl)cyclobutan-1-amine is sourced from PubChem (CID 103562600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).