3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine

C9H18N2 — CID 20706356

IUPAC3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
SMILESCC1=CCN(CCCN)CC1
InChIInChI=1S/C9H18N2/c1-9-3-7-11(8-4-9)6-2-5-10/h3H,2,4-8,10H2,1H3
InChIKeySWYULFGXEDGDPP-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.99
Rot. Bonds3

About 3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine

3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine (PubChem CID 20706356) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
PubChem CID20706356
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
SMILESCC1=CCN(CCCN)CC1
InChIInChI=1S/C9H18N2/c1-9-3-7-11(8-4-9)6-2-5-10/h3H,2,4-8,10H2,1H3
InChIKeySWYULFGXEDGDPP-UHFFFAOYSA-N
XLogP0.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.99
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 3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine?
The IUPAC name of 3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine (CID 20706356) is 3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine.
What is the SMILES notation for 3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine?
The canonical SMILES for 3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine is CC1=CCN(CCCN)CC1.
What is the InChIKey of 3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine?
The InChIKey is SWYULFGXEDGDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-9-3-7-11(8-4-9)6-2-5-10/h3H,2,4-8,10H2,1H3.
What are the key properties of 3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine?
3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine has a molecular weight of 154.26 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine is sourced from PubChem (CID 20706356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).