N-(cyclopropylmethyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine

C12H22N2 — CID 104694198

IUPACN-(cyclopropylmethyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine
SMILESCC1=CCN(CCNCC2CC2)CC1
InChIInChI=1S/C12H22N2/c1-11-4-7-14(8-5-11)9-6-13-10-12-2-3-12/h4,12-13H,2-3,5-10H2,1H3
InChIKeyUERMHVGIFVWPDY-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.64
Rot. Bonds5

About N-(cyclopropylmethyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine

N-(cyclopropylmethyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine (PubChem CID 104694198) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine
PubChem CID104694198
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-(cyclopropylmethyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine
SMILESCC1=CCN(CCNCC2CC2)CC1
InChIInChI=1S/C12H22N2/c1-11-4-7-14(8-5-11)9-6-13-10-12-2-3-12/h4,12-13H,2-3,5-10H2,1H3
InChIKeyUERMHVGIFVWPDY-UHFFFAOYSA-N
XLogP1.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
CID 114411060
N-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine
CID 114410849
N-ethyl-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine
CID 114413349
2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]guanidine
CID 15102
4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 114413207
4-methyl-1-(3-piperidin-4-ylpropyl)-3,6-dihydro-2H-pyridine
CID 114410854
(2S,4S)-4-methoxy-1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 154757211
N-(cyclopropylmethyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63978168
2-(3-azaspiro[5.5]undecan-3-yl)-N-(cyclopropylmethyl)ethanamine
CID 62932691
N-[[3-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 114413214
2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cycloheptan-1-amine
CID 114410885
ethane;1-ethyl-4-methyl-3,6-dihydro-2H-pyridine;1-ethyl-4-methylpiperidine
CID 158821853

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine?
The IUPAC name of N-(cyclopropylmethyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine (CID 104694198) is N-(cyclopropylmethyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine is CC1=CCN(CCNCC2CC2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine?
The InChIKey is UERMHVGIFVWPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-11-4-7-14(8-5-11)9-6-13-10-12-2-3-12/h4,12-13H,2-3,5-10H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine?
N-(cyclopropylmethyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine has a molecular weight of 194.32 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine is sourced from PubChem (CID 104694198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).