1-(aminomethyl)-N-hex-1-yn-3-yl-3-methylcyclobutan-1-amine

C12H22N2 — CID 106227974

IUPAC1-(aminomethyl)-N-hex-1-yn-3-yl-3-methylcyclobutan-1-amine
SMILESC#CC(CCC)NC1(CN)CC(C)C1
InChIInChI=1S/C12H22N2/c1-4-6-11(5-2)14-12(9-13)7-10(3)8-12/h2,10-11,14H,4,6-9,13H2,1,3H3
InChIKeyWMXFNDJEGVIPPF-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.51
Rot. Bonds5

About 1-(aminomethyl)-N-hex-1-yn-3-yl-3-methylcyclobutan-1-amine

1-(aminomethyl)-N-hex-1-yn-3-yl-3-methylcyclobutan-1-amine (PubChem CID 106227974) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(aminomethyl)-N-hex-1-yn-3-yl-3-methylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-hex-1-yn-3-yl-3-methylcyclobutan-1-amine
PubChem CID106227974
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-(aminomethyl)-N-hex-1-yn-3-yl-3-methylcyclobutan-1-amine
SMILESC#CC(CCC)NC1(CN)CC(C)C1
InChIInChI=1S/C12H22N2/c1-4-6-11(5-2)14-12(9-13)7-10(3)8-12/h2,10-11,14H,4,6-9,13H2,1,3H3
InChIKeyWMXFNDJEGVIPPF-UHFFFAOYSA-N
XLogP1.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-hex-1-yn-3-yl-3-methylcyclobutan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-hex-1-yn-3-yl-3-methylcyclobutan-1-amine (CID 106227974) is 1-(aminomethyl)-N-hex-1-yn-3-yl-3-methylcyclobutan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-hex-1-yn-3-yl-3-methylcyclobutan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-hex-1-yn-3-yl-3-methylcyclobutan-1-amine is C#CC(CCC)NC1(CN)CC(C)C1.
What is the InChIKey of 1-(aminomethyl)-N-hex-1-yn-3-yl-3-methylcyclobutan-1-amine?
The InChIKey is WMXFNDJEGVIPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-6-11(5-2)14-12(9-13)7-10(3)8-12/h2,10-11,14H,4,6-9,13H2,1,3H3.
What are the key properties of 1-(aminomethyl)-N-hex-1-yn-3-yl-3-methylcyclobutan-1-amine?
1-(aminomethyl)-N-hex-1-yn-3-yl-3-methylcyclobutan-1-amine has a molecular weight of 194.32 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-hex-1-yn-3-yl-3-methylcyclobutan-1-amine is sourced from PubChem (CID 106227974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).