(1-propyl-3,6-dihydro-2H-pyridin-4-yl)methanamine

C9H18N2 — CID 10419393

IUPAC(1-propyl-3,6-dihydro-2H-pyridin-4-yl)methanamine
SMILESCCCN1CC=C(CN)CC1
InChIInChI=1S/C9H18N2/c1-2-5-11-6-3-9(8-10)4-7-11/h3H,2,4-8,10H2,1H3
InChIKeyFMFWAITXFZHRJN-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.99
Rot. Bonds3

About (1-propyl-3,6-dihydro-2H-pyridin-4-yl)methanamine

(1-propyl-3,6-dihydro-2H-pyridin-4-yl)methanamine (PubChem CID 10419393) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (1-propyl-3,6-dihydro-2H-pyridin-4-yl)methanamine.

Molecular Properties

Compound Name(1-propyl-3,6-dihydro-2H-pyridin-4-yl)methanamine
PubChem CID10419393
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(1-propyl-3,6-dihydro-2H-pyridin-4-yl)methanamine
SMILESCCCN1CC=C(CN)CC1
InChIInChI=1S/C9H18N2/c1-2-5-11-6-3-9(8-10)4-7-11/h3H,2,4-8,10H2,1H3
InChIKeyFMFWAITXFZHRJN-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 (1-propyl-3,6-dihydro-2H-pyridin-4-yl)methanamine?
The IUPAC name of (1-propyl-3,6-dihydro-2H-pyridin-4-yl)methanamine (CID 10419393) is (1-propyl-3,6-dihydro-2H-pyridin-4-yl)methanamine.
What is the SMILES notation for (1-propyl-3,6-dihydro-2H-pyridin-4-yl)methanamine?
The canonical SMILES for (1-propyl-3,6-dihydro-2H-pyridin-4-yl)methanamine is CCCN1CC=C(CN)CC1.
What is the InChIKey of (1-propyl-3,6-dihydro-2H-pyridin-4-yl)methanamine?
The InChIKey is FMFWAITXFZHRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-2-5-11-6-3-9(8-10)4-7-11/h3H,2,4-8,10H2,1H3.
What are the key properties of (1-propyl-3,6-dihydro-2H-pyridin-4-yl)methanamine?
(1-propyl-3,6-dihydro-2H-pyridin-4-yl)methanamine 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 (1-propyl-3,6-dihydro-2H-pyridin-4-yl)methanamine is sourced from PubChem (CID 10419393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).