N-ethyl-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine

C13H26N2 — CID 114413349

IUPACN-ethyl-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine
SMILESCCNCCCCCN1CC=C(C)CC1
InChIInChI=1S/C13H26N2/c1-3-14-9-5-4-6-10-15-11-7-13(2)8-12-15/h7,14H,3-6,8-12H2,1-2H3
InChIKeyYXWAJNOMVAGADQ-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.42
Rot. Bonds7

About N-ethyl-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine

N-ethyl-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine (PubChem CID 114413349) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-ethyl-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine
PubChem CID114413349
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-ethyl-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine
SMILESCCNCCCCCN1CC=C(C)CC1
InChIInChI=1S/C13H26N2/c1-3-14-9-5-4-6-10-15-11-7-13(2)8-12-15/h7,14H,3-6,8-12H2,1-2H3
InChIKeyYXWAJNOMVAGADQ-UHFFFAOYSA-N
XLogP2.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.42
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

4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 114413207
N-ethyl-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine
CID 106316846
N-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine
CID 114410849
N-(cyclopropylmethyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine
CID 104694198
N-[[1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 114413134
N-ethyl-4-(4-propylpiperazin-1-yl)butan-1-amine
CID 62424325
N-(2-methylpropyl)-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine
CID 114490623
2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]guanidine
CID 15102
5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpentan-1-amine
CID 114413427
4-methyl-1-(3-piperidin-4-ylpropyl)-3,6-dihydro-2H-pyridine
CID 114410854
5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-ethylpentan-1-amine
CID 63192695
4-(3-azaspiro[5.5]undecan-3-yl)-N-ethylbutan-1-amine
CID 62931160

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine?
The IUPAC name of N-ethyl-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine (CID 114413349) is N-ethyl-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine.
What is the SMILES notation for N-ethyl-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine?
The canonical SMILES for N-ethyl-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine is CCNCCCCCN1CC=C(C)CC1.
What is the InChIKey of N-ethyl-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine?
The InChIKey is YXWAJNOMVAGADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-3-14-9-5-4-6-10-15-11-7-13(2)8-12-15/h7,14H,3-6,8-12H2,1-2H3.
What are the key properties of N-ethyl-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine?
N-ethyl-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine is sourced from PubChem (CID 114413349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).