N-[(1-ethylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine

C12H18N2 — CID 103735457

IUPACN-[(1-ethylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine
SMILESCCC1(CNCc2cccnc2)CC1
InChIInChI=1S/C12H18N2/c1-2-12(5-6-12)10-14-9-11-4-3-7-13-8-11/h3-4,7-8,14H,2,5-6,9-10H2,1H3
InChIKeyPSUVBHZAXFYUHY-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.36
Rot. Bonds5

About N-[(1-ethylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine

N-[(1-ethylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine (PubChem CID 103735457) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-[(1-ethylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(1-ethylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine
PubChem CID103735457
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-[(1-ethylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine
SMILESCCC1(CNCc2cccnc2)CC1
InChIInChI=1S/C12H18N2/c1-2-12(5-6-12)10-14-9-11-4-3-7-13-8-11/h3-4,7-8,14H,2,5-6,9-10H2,1H3
InChIKeyPSUVBHZAXFYUHY-UHFFFAOYSA-N
XLogP2.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methylcyclopentyl)methyl]-1-pyridin-3-ylmethanamine
CID 63822892
N-[(1-cyclopropylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine
CID 115757833
1-(3-bromophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 103735508
1-(4-chlorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 103735458
1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
CID 174270590
N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-pyridin-3-ylmethanamine
CID 71860476
methyl 4-[(pyridin-3-ylmethylamino)methyl]oxane-4-carboxylate
CID 86788957
N-(pyridin-3-ylmethyl)heptan-1-amine
CID 4716863
1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 163329891
[1-(pyridin-3-ylmethyl)cyclopropyl]methanamine;dihydrochloride
CID 86277054
1-pentyl-N-(pyridin-3-ylmethyl)cyclobutan-1-amine
CID 70482960
1-(pyridin-3-ylmethylamino)butan-2-ol
CID 18726795

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[(1-ethylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine (CID 103735457) is N-[(1-ethylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[(1-ethylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[(1-ethylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine is CCC1(CNCc2cccnc2)CC1.
What is the InChIKey of N-[(1-ethylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is PSUVBHZAXFYUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-2-12(5-6-12)10-14-9-11-4-3-7-13-8-11/h3-4,7-8,14H,2,5-6,9-10H2,1H3.
What are the key properties of N-[(1-ethylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine?
N-[(1-ethylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 190.29 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 103735457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).