N-(3,4-dihydropyridin-6-ylmethyl)propan-2-amine

C9H16N2 — CID 89002162

IUPACN-(3,4-dihydropyridin-6-ylmethyl)propan-2-amine
SMILESCC(C)NCC1=CCCC=N1
InChIInChI=1S/C9H16N2/c1-8(2)11-7-9-5-3-4-6-10-9/h5-6,8,11H,3-4,7H2,1-2H3
InChIKeyLKECXHOOERYYFG-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.73
Rot. Bonds3

About N-(3,4-dihydropyridin-6-ylmethyl)propan-2-amine

N-(3,4-dihydropyridin-6-ylmethyl)propan-2-amine (PubChem CID 89002162) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-(3,4-dihydropyridin-6-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(3,4-dihydropyridin-6-ylmethyl)propan-2-amine
PubChem CID89002162
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-(3,4-dihydropyridin-6-ylmethyl)propan-2-amine
SMILESCC(C)NCC1=CCCC=N1
InChIInChI=1S/C9H16N2/c1-8(2)11-7-9-5-3-4-6-10-9/h5-6,8,11H,3-4,7H2,1-2H3
InChIKeyLKECXHOOERYYFG-UHFFFAOYSA-N
XLogP1.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.73
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-6-ylmethyl)propan-2-amine?
The IUPAC name of N-(3,4-dihydropyridin-6-ylmethyl)propan-2-amine (CID 89002162) is N-(3,4-dihydropyridin-6-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(3,4-dihydropyridin-6-ylmethyl)propan-2-amine?
The canonical SMILES for N-(3,4-dihydropyridin-6-ylmethyl)propan-2-amine is CC(C)NCC1=CCCC=N1.
What is the InChIKey of N-(3,4-dihydropyridin-6-ylmethyl)propan-2-amine?
The InChIKey is LKECXHOOERYYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8(2)11-7-9-5-3-4-6-10-9/h5-6,8,11H,3-4,7H2,1-2H3.
What are the key properties of N-(3,4-dihydropyridin-6-ylmethyl)propan-2-amine?
N-(3,4-dihydropyridin-6-ylmethyl)propan-2-amine has a molecular weight of 152.24 g/mol, XLogP of 1.73, 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-6-ylmethyl)propan-2-amine is sourced from PubChem (CID 89002162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).