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

C12H24N2 — CID 106316846

IUPACN-ethyl-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine
SMILESCCNCCCCN1CCC=C(C)C1
InChIInChI=1S/C12H24N2/c1-3-13-8-4-5-9-14-10-6-7-12(2)11-14/h7,13H,3-6,8-11H2,1-2H3
InChIKeyVMDSMVOWFRFOEZ-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.03
Rot. Bonds6

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

N-ethyl-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine (PubChem CID 106316846) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-ethyl-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine
PubChem CID106316846
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-ethyl-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine
SMILESCCNCCCCN1CCC=C(C)C1
InChIInChI=1S/C12H24N2/c1-3-13-8-4-5-9-14-10-6-7-12(2)11-14/h7,13H,3-6,8-11H2,1-2H3
InChIKeyVMDSMVOWFRFOEZ-UHFFFAOYSA-N
XLogP2.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.03
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

5-methyl-1-[10-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)decyl]-3,6-dihydro-2H-pyridine
CID 53316629
5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpentan-1-amine
CID 106316734
6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylhexan-1-amine
CID 114172712
6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-amine
CID 106314964
7-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)heptan-1-amine
CID 106315033
N-ethyl-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine
CID 114413349
N-ethyl-2-methyl-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
CID 106314882
N-ethyl-4-(4-propylpiperazin-1-yl)butan-1-amine
CID 62424325
1-(2-methoxyethyl)-5-methyl-3,6-dihydro-2H-pyridine
CID 177317447
4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine
CID 106315085
5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-ethylpentan-1-amine
CID 63192695
1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclopropan-1-amine
CID 131059396

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine?
The IUPAC name of N-ethyl-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine (CID 106316846) is N-ethyl-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine?
The canonical SMILES for N-ethyl-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine is CCNCCCCN1CCC=C(C)C1.
What is the InChIKey of N-ethyl-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine?
The InChIKey is VMDSMVOWFRFOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-3-13-8-4-5-9-14-10-6-7-12(2)11-14/h7,13H,3-6,8-11H2,1-2H3.
What are the key properties of N-ethyl-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine?
N-ethyl-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine has a molecular weight of 196.34 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine is sourced from PubChem (CID 106316846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).