2-(aminomethyl)-N-methyl-N-pentan-3-ylcyclobutan-1-amine

C11H24N2 — CID 80998114

IUPAC2-(aminomethyl)-N-methyl-N-pentan-3-ylcyclobutan-1-amine
SMILESCCC(CC)N(C)C1CCC1CN
InChIInChI=1S/C11H24N2/c1-4-10(5-2)13(3)11-7-6-9(11)8-12/h9-11H,4-8,12H2,1-3H3
InChIKeyOCERJEWFADMILT-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.84
Rot. Bonds5

About 2-(aminomethyl)-N-methyl-N-pentan-3-ylcyclobutan-1-amine

2-(aminomethyl)-N-methyl-N-pentan-3-ylcyclobutan-1-amine (PubChem CID 80998114) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-pentan-3-ylcyclobutan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-pentan-3-ylcyclobutan-1-amine
PubChem CID80998114
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name2-(aminomethyl)-N-methyl-N-pentan-3-ylcyclobutan-1-amine
SMILESCCC(CC)N(C)C1CCC1CN
InChIInChI=1S/C11H24N2/c1-4-10(5-2)13(3)11-7-6-9(11)8-12/h9-11H,4-8,12H2,1-3H3
InChIKeyOCERJEWFADMILT-UHFFFAOYSA-N
XLogP1.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-pentan-3-ylcyclobutan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-pentan-3-ylcyclobutan-1-amine (CID 80998114) is 2-(aminomethyl)-N-methyl-N-pentan-3-ylcyclobutan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-pentan-3-ylcyclobutan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-pentan-3-ylcyclobutan-1-amine is CCC(CC)N(C)C1CCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-pentan-3-ylcyclobutan-1-amine?
The InChIKey is OCERJEWFADMILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-4-10(5-2)13(3)11-7-6-9(11)8-12/h9-11H,4-8,12H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-pentan-3-ylcyclobutan-1-amine?
2-(aminomethyl)-N-methyl-N-pentan-3-ylcyclobutan-1-amine has a molecular weight of 184.33 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-pentan-3-ylcyclobutan-1-amine is sourced from PubChem (CID 80998114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).