1-(3,4-dihydropyridin-2-yl)-N-methylpropan-1-amine;ethane

C11H22N2 — CID 155735826

IUPAC1-(3,4-dihydropyridin-2-yl)-N-methylpropan-1-amine;ethane
SMILESCC.CCC(NC)C1=NC=CCC1
InChIInChI=1S/C9H16N2.C2H6/c1-3-8(10-2)9-6-4-5-7-11-9;1-2/h5,7-8,10H,3-4,6H2,1-2H3;1-2H3
InChIKeyADEAPKLQUDFMSP-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.76
Rot. Bonds3

About 1-(3,4-dihydropyridin-2-yl)-N-methylpropan-1-amine;ethane

1-(3,4-dihydropyridin-2-yl)-N-methylpropan-1-amine;ethane (PubChem CID 155735826) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-(3,4-dihydropyridin-2-yl)-N-methylpropan-1-amine;ethane.

Molecular Properties

Compound Name1-(3,4-dihydropyridin-2-yl)-N-methylpropan-1-amine;ethane
PubChem CID155735826
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-(3,4-dihydropyridin-2-yl)-N-methylpropan-1-amine;ethane
SMILESCC.CCC(NC)C1=NC=CCC1
InChIInChI=1S/C9H16N2.C2H6/c1-3-8(10-2)9-6-4-5-7-11-9;1-2/h5,7-8,10H,3-4,6H2,1-2H3;1-2H3
InChIKeyADEAPKLQUDFMSP-UHFFFAOYSA-N
XLogP2.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-methyl-1-(3H-pyrrol-2-yl)ethanamine
CID 58427185
(1R)-N-methyl-1-(3H-pyrrol-2-yl)ethanamine
CID 58427201
N-(3,4-dihydropyridin-2-ylmethyl)cyclopropanamine
CID 89091470
N-ethyl-3-hexa-1,4,5-trienyliminononan-1-amine
CID 123206074
N-ethyl-3-methyliminooct-1-en-4-amine
CID 123344021
N-methyl-1-piperidin-2-ylprop-2-en-1-imine
CID 123359089
2-[(4Z)-3,6-dihydroazocin-2-yl]-N-methylethanamine
CID 135244701
4-ethenylimino-N-methylhex-5-en-1-amine
CID 142295426
N-methyl-3-[(Z)-prop-1-enyl]iminopent-4-en-1-amine
CID 143115331
ethane;2-methyl-N-[(Z)-prop-1-enyl]piperidin-3-imine
CID 143163852
ethane;N-methyl-3-[(Z)-prop-1-enyl]iminopentan-2-amine
CID 143265925
N-[(1Z)-buta-1,3-dienyl]-1-piperidin-2-ylethanimine
CID 143660824

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydropyridin-2-yl)-N-methylpropan-1-amine;ethane?
The IUPAC name of 1-(3,4-dihydropyridin-2-yl)-N-methylpropan-1-amine;ethane (CID 155735826) is 1-(3,4-dihydropyridin-2-yl)-N-methylpropan-1-amine;ethane.
What is the SMILES notation for 1-(3,4-dihydropyridin-2-yl)-N-methylpropan-1-amine;ethane?
The canonical SMILES for 1-(3,4-dihydropyridin-2-yl)-N-methylpropan-1-amine;ethane is CC.CCC(NC)C1=NC=CCC1.
What is the InChIKey of 1-(3,4-dihydropyridin-2-yl)-N-methylpropan-1-amine;ethane?
The InChIKey is ADEAPKLQUDFMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.C2H6/c1-3-8(10-2)9-6-4-5-7-11-9;1-2/h5,7-8,10H,3-4,6H2,1-2H3;1-2H3.
What are the key properties of 1-(3,4-dihydropyridin-2-yl)-N-methylpropan-1-amine;ethane?
1-(3,4-dihydropyridin-2-yl)-N-methylpropan-1-amine;ethane has a molecular weight of 182.31 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydropyridin-2-yl)-N-methylpropan-1-amine;ethane is sourced from PubChem (CID 155735826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).