1-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethyl]cyclopropan-1-amine

C11H20N2 — CID 105439122

IUPAC1-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethyl]cyclopropan-1-amine
SMILESCN1CCC=C(CCC2(N)CC2)C1
InChIInChI=1S/C11H20N2/c1-13-8-2-3-10(9-13)4-5-11(12)6-7-11/h3H,2,4-9,12H2,1H3
InChIKeyIWOCWMCJUZFHCH-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.52
Rot. Bonds3

About 1-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethyl]cyclopropan-1-amine

1-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethyl]cyclopropan-1-amine (PubChem CID 105439122) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethyl]cyclopropan-1-amine
PubChem CID105439122
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethyl]cyclopropan-1-amine
SMILESCN1CCC=C(CCC2(N)CC2)C1
InChIInChI=1S/C11H20N2/c1-13-8-2-3-10(9-13)4-5-11(12)6-7-11/h3H,2,4-9,12H2,1H3
InChIKeyIWOCWMCJUZFHCH-UHFFFAOYSA-N
XLogP1.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethyl]cyclopropan-1-amine (CID 105439122) is 1-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethyl]cyclopropan-1-amine is CN1CCC=C(CCC2(N)CC2)C1.
What is the InChIKey of 1-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethyl]cyclopropan-1-amine?
The InChIKey is IWOCWMCJUZFHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-13-8-2-3-10(9-13)4-5-11(12)6-7-11/h3H,2,4-9,12H2,1H3.
What are the key properties of 1-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethyl]cyclopropan-1-amine?
1-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethyl]cyclopropan-1-amine has a molecular weight of 180.29 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105439122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).