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

C9H18N2 — CID 70596097

IUPAC1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
SMILESCCC(N)N1CC=C(C)CC1
InChIInChI=1S/C9H18N2/c1-3-9(10)11-6-4-8(2)5-7-11/h4,9H,3,5-7,10H2,1-2H3
InChIKeyGUHQEHYBXWMSRG-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.33
Rot. Bonds2

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

1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine (PubChem CID 70596097) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
PubChem CID70596097
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
SMILESCCC(N)N1CC=C(C)CC1
InChIInChI=1S/C9H18N2/c1-3-9(10)11-6-4-8(2)5-7-11/h4,9H,3,5-7,10H2,1-2H3
InChIKeyGUHQEHYBXWMSRG-UHFFFAOYSA-N
XLogP1.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.33
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-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine?
The IUPAC name of 1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine (CID 70596097) is 1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine.
What is the SMILES notation for 1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine?
The canonical SMILES for 1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine is CCC(N)N1CC=C(C)CC1.
What is the InChIKey of 1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine?
The InChIKey is GUHQEHYBXWMSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-9(10)11-6-4-8(2)5-7-11/h4,9H,3,5-7,10H2,1-2H3.
What are the key properties of 1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine?
1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine has a molecular weight of 154.26 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine is sourced from PubChem (CID 70596097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).