2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine

C9H18N2 — CID 105430187

IUPAC2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine
SMILESCC(C)(CN)C1=CCNCC1
InChIInChI=1S/C9H18N2/c1-9(2,7-10)8-3-5-11-6-4-8/h3,11H,4-7,10H2,1-2H3
InChIKeyPBXZVRKTXROVCM-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.89
Rot. Bonds2

About 2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine

2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine (PubChem CID 105430187) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine
PubChem CID105430187
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine
SMILESCC(C)(CN)C1=CCNCC1
InChIInChI=1S/C9H18N2/c1-9(2,7-10)8-3-5-11-6-4-8/h3,11H,4-7,10H2,1-2H3
InChIKeyPBXZVRKTXROVCM-UHFFFAOYSA-N
XLogP0.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-4-tert-butyl-delta3-piperideine
CID 180571
4-Ethyl-1,2,3,6-tetrahydropyridine
CID 21473622
Pyridine, 1,2,5,6-tetrahydro-4-isopropyl-
CID 23423759
2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine
CID 75437864
4-Tert-butyl-1,2,3,6-tetrahydropyridine hydrochloride
CID 71757335
2-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)ethan-1-amine
CID 71757538
4-tert-Butyl-1,2,3,6-tetrahydropyridine
CID 21519703
3-Fluoro-4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 172345431
2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366474
2-Fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine
CID 105431027
2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine
CID 105435260
4,4-dimethyl-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-1-amine
CID 107473680

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine?
The IUPAC name of 2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine (CID 105430187) is 2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine?
The canonical SMILES for 2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine is CC(C)(CN)C1=CCNCC1.
What is the InChIKey of 2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine?
The InChIKey is PBXZVRKTXROVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-9(2,7-10)8-3-5-11-6-4-8/h3,11H,4-7,10H2,1-2H3.
What are the key properties of 2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine?
2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine has a molecular weight of 154.26 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine is sourced from PubChem (CID 105430187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).