1-(aminomethyl)-N-prop-2-ynylcyclobutan-1-amine

C8H14N2 — CID 79520652

IUPAC1-(aminomethyl)-N-prop-2-ynylcyclobutan-1-amine
SMILESC#CCNC1(CN)CCC1
InChIInChI=1S/C8H14N2/c1-2-6-10-8(7-9)4-3-5-8/h1,10H,3-7,9H2
InChIKeyIIDCXBFXHUGXFA-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.09
Rot. Bonds3

About 1-(aminomethyl)-N-prop-2-ynylcyclobutan-1-amine

1-(aminomethyl)-N-prop-2-ynylcyclobutan-1-amine (PubChem CID 79520652) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-(aminomethyl)-N-prop-2-ynylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-prop-2-ynylcyclobutan-1-amine
PubChem CID79520652
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-(aminomethyl)-N-prop-2-ynylcyclobutan-1-amine
SMILESC#CCNC1(CN)CCC1
InChIInChI=1S/C8H14N2/c1-2-6-10-8(7-9)4-3-5-8/h1,10H,3-7,9H2
InChIKeyIIDCXBFXHUGXFA-UHFFFAOYSA-N
XLogP0.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.09
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-prop-2-ynylcyclobutan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-prop-2-ynylcyclobutan-1-amine (CID 79520652) is 1-(aminomethyl)-N-prop-2-ynylcyclobutan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-prop-2-ynylcyclobutan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-prop-2-ynylcyclobutan-1-amine is C#CCNC1(CN)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-prop-2-ynylcyclobutan-1-amine?
The InChIKey is IIDCXBFXHUGXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-6-10-8(7-9)4-3-5-8/h1,10H,3-7,9H2.
What are the key properties of 1-(aminomethyl)-N-prop-2-ynylcyclobutan-1-amine?
1-(aminomethyl)-N-prop-2-ynylcyclobutan-1-amine has a molecular weight of 138.21 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-prop-2-ynylcyclobutan-1-amine is sourced from PubChem (CID 79520652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).