1-(aminomethyl)-N-but-3-yn-2-ylcyclobutan-1-amine

C9H16N2 — CID 114415847

IUPAC1-(aminomethyl)-N-but-3-yn-2-ylcyclobutan-1-amine
SMILESC#CC(C)NC1(CN)CCC1
InChIInChI=1S/C9H16N2/c1-3-8(2)11-9(7-10)5-4-6-9/h1,8,11H,4-7,10H2,2H3
InChIKeyAFGHBMYBJKRTCB-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.48
Rot. Bonds3

About 1-(aminomethyl)-N-but-3-yn-2-ylcyclobutan-1-amine

1-(aminomethyl)-N-but-3-yn-2-ylcyclobutan-1-amine (PubChem CID 114415847) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-(aminomethyl)-N-but-3-yn-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-but-3-yn-2-ylcyclobutan-1-amine
PubChem CID114415847
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-(aminomethyl)-N-but-3-yn-2-ylcyclobutan-1-amine
SMILESC#CC(C)NC1(CN)CCC1
InChIInChI=1S/C9H16N2/c1-3-8(2)11-9(7-10)5-4-6-9/h1,8,11H,4-7,10H2,2H3
InChIKeyAFGHBMYBJKRTCB-UHFFFAOYSA-N
XLogP0.48
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(aminomethyl)-N-but-3-yn-2-yl-4,4-dimethylcycloheptan-1-amine
CID 114415937
1-(aminomethyl)-N-but-3-yn-2-yl-4-propan-2-ylcyclohexan-1-amine
CID 114416143
4-(aminomethyl)-N-but-3-yn-2-yl-1,1-dioxothian-4-amine
CID 114416146
1-(aminomethyl)-N-but-3-yn-2-yl-3-cyclopropylcyclohexan-1-amine
CID 114416286
1-(aminomethyl)-N-but-3-yn-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 114415888
3-(aminomethyl)-1-benzyl-N-but-3-yn-2-ylpiperidin-3-amine
CID 114416325
3-(aminomethyl)-N-but-3-yn-2-yl-1-cyclopropylpyrrolidin-3-amine
CID 114416226
1-(aminomethyl)-N-prop-2-ynylcyclobutan-1-amine
CID 79520652
2-[1-(aminomethyl)cyclobutyl]-N-but-3-yn-2-ylacetamide
CID 114417116
3-[[1-(aminomethyl)cyclopentyl]amino]butan-1-ol
CID 83177389
4-[[1-(aminomethyl)cyclopropyl]amino]pentan-1-ol
CID 106661332
3-(aminomethyl)-N-hex-1-yn-3-yloxolan-3-amine
CID 106228501

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-but-3-yn-2-ylcyclobutan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-but-3-yn-2-ylcyclobutan-1-amine (CID 114415847) is 1-(aminomethyl)-N-but-3-yn-2-ylcyclobutan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-but-3-yn-2-ylcyclobutan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-but-3-yn-2-ylcyclobutan-1-amine is C#CC(C)NC1(CN)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-but-3-yn-2-ylcyclobutan-1-amine?
The InChIKey is AFGHBMYBJKRTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-8(2)11-9(7-10)5-4-6-9/h1,8,11H,4-7,10H2,2H3.
What are the key properties of 1-(aminomethyl)-N-but-3-yn-2-ylcyclobutan-1-amine?
1-(aminomethyl)-N-but-3-yn-2-ylcyclobutan-1-amine has a molecular weight of 152.24 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-but-3-yn-2-ylcyclobutan-1-amine is sourced from PubChem (CID 114415847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).