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

C14H28N2 — CID 114410768

IUPAC4-methyl-2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pentan-1-amine
SMILESCC1=CCN(CCC(CN)CC(C)C)CC1
InChIInChI=1S/C14H28N2/c1-12(2)10-14(11-15)6-9-16-7-4-13(3)5-8-16/h4,12,14H,5-11,15H2,1-3H3
InChIKeyMLAKYCLYUFNHDV-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.65
Rot. Bonds6

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

4-methyl-2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pentan-1-amine (PubChem CID 114410768) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 4-methyl-2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pentan-1-amine.

Molecular Properties

Compound Name4-methyl-2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pentan-1-amine
PubChem CID114410768
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name4-methyl-2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pentan-1-amine
SMILESCC1=CCN(CCC(CN)CC(C)C)CC1
InChIInChI=1S/C14H28N2/c1-12(2)10-14(11-15)6-9-16-7-4-13(3)5-8-16/h4,12,14H,5-11,15H2,1-3H3
InChIKeyMLAKYCLYUFNHDV-UHFFFAOYSA-N
XLogP2.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)ethan-1-amine
CID 71758631
(3,7-Dimethyloct-6-en-1-yl)(methyl)amine
CID 22251448
Pyridine, 1,2,5,6-tetrahydro-4-isopropyl-
CID 23423759
2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine
CID 75437864
Pyridine, 1,2,3,6-tetrahydro-4-(4-piperidinyl)-
CID 5231471
2-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)ethan-1-amine
CID 71757538
5-(aminomethyl)-3-fluoro-N,N-dimethylcyclohex-2-en-1-amine
CID 117694656
1-(3,7-Dimethyloct-6-enyl)piperazine
CID 85783988
(2Z)-N-[[4-[[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclohexyl]methyl]-3,7-dimethylocta-2,6-dien-1-amine
CID 6913048
2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine
CID 105435260
2-ethyl-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
CID 113591687
3-methyl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine
CID 113591691

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pentan-1-amine?
The IUPAC name of 4-methyl-2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pentan-1-amine (CID 114410768) is 4-methyl-2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pentan-1-amine.
What is the SMILES notation for 4-methyl-2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pentan-1-amine?
The canonical SMILES for 4-methyl-2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pentan-1-amine is CC1=CCN(CCC(CN)CC(C)C)CC1.
What is the InChIKey of 4-methyl-2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pentan-1-amine?
The InChIKey is MLAKYCLYUFNHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-12(2)10-14(11-15)6-9-16-7-4-13(3)5-8-16/h4,12,14H,5-11,15H2,1-3H3.
What are the key properties of 4-methyl-2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pentan-1-amine?
4-methyl-2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pentan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pentan-1-amine is sourced from PubChem (CID 114410768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).