3-(methylaminomethyl)-N-pent-1-en-2-ylcyclobutan-1-amine

C11H22N2 — CID 129028973

IUPAC3-(methylaminomethyl)-N-pent-1-en-2-ylcyclobutan-1-amine
SMILESC=C(CCC)NC1CC(CNC)C1
InChIInChI=1S/C11H22N2/c1-4-5-9(2)13-11-6-10(7-11)8-12-3/h10-13H,2,4-8H2,1,3H3
InChIKeyVCWMFAUGHCEEIJ-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.89
Rot. Bonds6

About 3-(methylaminomethyl)-N-pent-1-en-2-ylcyclobutan-1-amine

3-(methylaminomethyl)-N-pent-1-en-2-ylcyclobutan-1-amine (PubChem CID 129028973) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-(methylaminomethyl)-N-pent-1-en-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(methylaminomethyl)-N-pent-1-en-2-ylcyclobutan-1-amine
PubChem CID129028973
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name3-(methylaminomethyl)-N-pent-1-en-2-ylcyclobutan-1-amine
SMILESC=C(CCC)NC1CC(CNC)C1
InChIInChI=1S/C11H22N2/c1-4-5-9(2)13-11-6-10(7-11)8-12-3/h10-13H,2,4-8H2,1,3H3
InChIKeyVCWMFAUGHCEEIJ-UHFFFAOYSA-N
XLogP1.89
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethyl)-N-pent-1-en-2-ylcyclobutan-1-amine?
The IUPAC name of 3-(methylaminomethyl)-N-pent-1-en-2-ylcyclobutan-1-amine (CID 129028973) is 3-(methylaminomethyl)-N-pent-1-en-2-ylcyclobutan-1-amine.
What is the SMILES notation for 3-(methylaminomethyl)-N-pent-1-en-2-ylcyclobutan-1-amine?
The canonical SMILES for 3-(methylaminomethyl)-N-pent-1-en-2-ylcyclobutan-1-amine is C=C(CCC)NC1CC(CNC)C1.
What is the InChIKey of 3-(methylaminomethyl)-N-pent-1-en-2-ylcyclobutan-1-amine?
The InChIKey is VCWMFAUGHCEEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-5-9(2)13-11-6-10(7-11)8-12-3/h10-13H,2,4-8H2,1,3H3.
What are the key properties of 3-(methylaminomethyl)-N-pent-1-en-2-ylcyclobutan-1-amine?
3-(methylaminomethyl)-N-pent-1-en-2-ylcyclobutan-1-amine has a molecular weight of 182.31 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)-N-pent-1-en-2-ylcyclobutan-1-amine is sourced from PubChem (CID 129028973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).