3-(aminomethyl)-N,N-dimethylcyclobutan-1-amine

C7H16N2 — CID 115011180

IUPAC3-(aminomethyl)-N,N-dimethylcyclobutan-1-amine
SMILESCN(C)C1CC(CN)C1
InChIInChI=1S/C7H16N2/c1-9(2)7-3-6(4-7)5-8/h6-7H,3-5,8H2,1-2H3
InChIKeySKFBUDMRUFCRQW-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.29
Rot. Bonds2

About 3-(aminomethyl)-N,N-dimethylcyclobutan-1-amine

3-(aminomethyl)-N,N-dimethylcyclobutan-1-amine (PubChem CID 115011180) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 3-(aminomethyl)-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N,N-dimethylcyclobutan-1-amine
PubChem CID115011180
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name3-(aminomethyl)-N,N-dimethylcyclobutan-1-amine
SMILESCN(C)C1CC(CN)C1
InChIInChI=1S/C7H16N2/c1-9(2)7-3-6(4-7)5-8/h6-7H,3-5,8H2,1-2H3
InChIKeySKFBUDMRUFCRQW-UHFFFAOYSA-N
XLogP0.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 3-(aminomethyl)-N,N-dimethylcyclobutan-1-amine (CID 115011180) is 3-(aminomethyl)-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(aminomethyl)-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-(aminomethyl)-N,N-dimethylcyclobutan-1-amine is CN(C)C1CC(CN)C1.
What is the InChIKey of 3-(aminomethyl)-N,N-dimethylcyclobutan-1-amine?
The InChIKey is SKFBUDMRUFCRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-9(2)7-3-6(4-7)5-8/h6-7H,3-5,8H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N,N-dimethylcyclobutan-1-amine?
3-(aminomethyl)-N,N-dimethylcyclobutan-1-amine has a molecular weight of 128.22 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 115011180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).