1-(2-methyl-2-prop-2-ynylcyclopropyl)ethanamine

C9H15N — CID 163827959

IUPAC1-(2-methyl-2-prop-2-ynylcyclopropyl)ethanamine
SMILESC#CCC1(C)CC1C(C)N
InChIInChI=1S/C9H15N/c1-4-5-9(3)6-8(9)7(2)10/h1,7-8H,5-6,10H2,2-3H3
InChIKeyOBECIDVHUIYKRE-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.38
Rot. Bonds2

About 1-(2-methyl-2-prop-2-ynylcyclopropyl)ethanamine

1-(2-methyl-2-prop-2-ynylcyclopropyl)ethanamine (PubChem CID 163827959) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 1-(2-methyl-2-prop-2-ynylcyclopropyl)ethanamine.

Molecular Properties

Compound Name1-(2-methyl-2-prop-2-ynylcyclopropyl)ethanamine
PubChem CID163827959
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name1-(2-methyl-2-prop-2-ynylcyclopropyl)ethanamine
SMILESC#CCC1(C)CC1C(C)N
InChIInChI=1S/C9H15N/c1-4-5-9(3)6-8(9)7(2)10/h1,7-8H,5-6,10H2,2-3H3
InChIKeyOBECIDVHUIYKRE-UHFFFAOYSA-N
XLogP1.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(2-methyl-2-prop-2-ynylcyclopropyl)ethanamine?
The IUPAC name of 1-(2-methyl-2-prop-2-ynylcyclopropyl)ethanamine (CID 163827959) is 1-(2-methyl-2-prop-2-ynylcyclopropyl)ethanamine.
What is the SMILES notation for 1-(2-methyl-2-prop-2-ynylcyclopropyl)ethanamine?
The canonical SMILES for 1-(2-methyl-2-prop-2-ynylcyclopropyl)ethanamine is C#CCC1(C)CC1C(C)N.
What is the InChIKey of 1-(2-methyl-2-prop-2-ynylcyclopropyl)ethanamine?
The InChIKey is OBECIDVHUIYKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-4-5-9(3)6-8(9)7(2)10/h1,7-8H,5-6,10H2,2-3H3.
What are the key properties of 1-(2-methyl-2-prop-2-ynylcyclopropyl)ethanamine?
1-(2-methyl-2-prop-2-ynylcyclopropyl)ethanamine has a molecular weight of 137.23 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2-prop-2-ynylcyclopropyl)ethanamine is sourced from PubChem (CID 163827959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).