N-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine

C12H22N2 — CID 114410849

IUPACN-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine
SMILESCC1=CCN(CCCNC2CC2)CC1
InChIInChI=1S/C12H22N2/c1-11-5-9-14(10-6-11)8-2-7-13-12-3-4-12/h5,12-13H,2-4,6-10H2,1H3
InChIKeyLSVNUVYHKLXPRE-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.78
Rot. Bonds5

About N-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine

N-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine (PubChem CID 114410849) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine
PubChem CID114410849
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine
SMILESCC1=CCN(CCCNC2CC2)CC1
InChIInChI=1S/C12H22N2/c1-11-5-9-14(10-6-11)8-2-7-13-12-3-4-12/h5,12-13H,2-4,6-10H2,1H3
InChIKeyLSVNUVYHKLXPRE-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
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-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butyl]cyclopropanamine
CID 114460915
N-[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexyl]cyclopropanamine
CID 114413385
N-(cyclopropylmethyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine
CID 104694198
N-[2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine
CID 114413272
N-ethyl-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine
CID 114413349
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
N-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopropanamine
CID 114490100
N-[[3-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 114413214
N-[3-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine
CID 61430975
N-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butyl]cyclopropanamine
CID 63153176
N-[4-(4-propylpiperazin-1-yl)butyl]cyclopropanamine
CID 62424326

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine?
The IUPAC name of N-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine (CID 114410849) is N-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine is CC1=CCN(CCCNC2CC2)CC1.
What is the InChIKey of N-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine?
The InChIKey is LSVNUVYHKLXPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-11-5-9-14(10-6-11)8-2-7-13-12-3-4-12/h5,12-13H,2-4,6-10H2,1H3.
What are the key properties of N-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine?
N-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine has a molecular weight of 194.32 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine is sourced from PubChem (CID 114410849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).