N-(3,4-dihydropyridin-2-ylmethyl)cyclopropanamine

C9H14N2 — CID 89091470

IUPACN-(3,4-dihydropyridin-2-ylmethyl)cyclopropanamine
SMILESC1=CN=C(CNC2CC2)CC1
InChIInChI=1S/C9H14N2/c1-2-6-10-9(3-1)7-11-8-4-5-8/h2,6,8,11H,1,3-5,7H2
InChIKeyTUQSABSABHJACE-UHFFFAOYSA-N
MW150.23 g/mol
LogP1.49
Rot. Bonds3

About N-(3,4-dihydropyridin-2-ylmethyl)cyclopropanamine

N-(3,4-dihydropyridin-2-ylmethyl)cyclopropanamine (PubChem CID 89091470) has the molecular formula C9H14N2 and a molecular weight of 150.23 g/mol. Its IUPAC name is N-(3,4-dihydropyridin-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(3,4-dihydropyridin-2-ylmethyl)cyclopropanamine
PubChem CID89091470
Molecular FormulaC9H14N2
Molecular Weight150.23 g/mol
Exact Mass150.12
IUPAC NameN-(3,4-dihydropyridin-2-ylmethyl)cyclopropanamine
SMILESC1=CN=C(CNC2CC2)CC1
InChIInChI=1S/C9H14N2/c1-2-6-10-9(3-1)7-11-8-4-5-8/h2,6,8,11H,1,3-5,7H2
InChIKeyTUQSABSABHJACE-UHFFFAOYSA-N
XLogP1.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.23
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydropyridin-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-(3,4-dihydropyridin-2-ylmethyl)cyclopropanamine (CID 89091470) is N-(3,4-dihydropyridin-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(3,4-dihydropyridin-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(3,4-dihydropyridin-2-ylmethyl)cyclopropanamine is C1=CN=C(CNC2CC2)CC1.
What is the InChIKey of N-(3,4-dihydropyridin-2-ylmethyl)cyclopropanamine?
The InChIKey is TUQSABSABHJACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-2-6-10-9(3-1)7-11-8-4-5-8/h2,6,8,11H,1,3-5,7H2.
What are the key properties of N-(3,4-dihydropyridin-2-ylmethyl)cyclopropanamine?
N-(3,4-dihydropyridin-2-ylmethyl)cyclopropanamine has a molecular weight of 150.23 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydropyridin-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 89091470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).