N,N-dimethyl-1-(1,2,3,6-tetrahydropyridin-4-yl)methanamine

C8H16N2 — CID 20666224

IUPACN,N-dimethyl-1-(1,2,3,6-tetrahydropyridin-4-yl)methanamine
SMILESCN(C)CC1=CCNCC1
InChIInChI=1S/C8H16N2/c1-10(2)7-8-3-5-9-6-4-8/h3,9H,4-7H2,1-2H3
InChIKeyDUNSEHVPPRIVAB-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.47
Rot. Bonds2

About N,N-dimethyl-1-(1,2,3,6-tetrahydropyridin-4-yl)methanamine

N,N-dimethyl-1-(1,2,3,6-tetrahydropyridin-4-yl)methanamine (PubChem CID 20666224) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N,N-dimethyl-1-(1,2,3,6-tetrahydropyridin-4-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(1,2,3,6-tetrahydropyridin-4-yl)methanamine
PubChem CID20666224
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN,N-dimethyl-1-(1,2,3,6-tetrahydropyridin-4-yl)methanamine
SMILESCN(C)CC1=CCNCC1
InChIInChI=1S/C8H16N2/c1-10(2)7-8-3-5-9-6-4-8/h3,9H,4-7H2,1-2H3
InChIKeyDUNSEHVPPRIVAB-UHFFFAOYSA-N
XLogP0.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.47
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 N,N-dimethyl-1-(1,2,3,6-tetrahydropyridin-4-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(1,2,3,6-tetrahydropyridin-4-yl)methanamine (CID 20666224) is N,N-dimethyl-1-(1,2,3,6-tetrahydropyridin-4-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(1,2,3,6-tetrahydropyridin-4-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(1,2,3,6-tetrahydropyridin-4-yl)methanamine is CN(C)CC1=CCNCC1.
What is the InChIKey of N,N-dimethyl-1-(1,2,3,6-tetrahydropyridin-4-yl)methanamine?
The InChIKey is DUNSEHVPPRIVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-10(2)7-8-3-5-9-6-4-8/h3,9H,4-7H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(1,2,3,6-tetrahydropyridin-4-yl)methanamine?
N,N-dimethyl-1-(1,2,3,6-tetrahydropyridin-4-yl)methanamine has a molecular weight of 140.23 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(1,2,3,6-tetrahydropyridin-4-yl)methanamine is sourced from PubChem (CID 20666224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).