2-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-methylpentan-1-amine

C12H24N2 — CID 114410673

IUPAC2-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-methylpentan-1-amine
SMILESCC(C)CC(CN)CN1CC=CCC1
InChIInChI=1S/C12H24N2/c1-11(2)8-12(9-13)10-14-6-4-3-5-7-14/h3-4,11-12H,5-10,13H2,1-2H3
InChIKeyOLEWVQBYMQHDJE-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.87
Rot. Bonds5

About 2-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-methylpentan-1-amine

2-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-methylpentan-1-amine (PubChem CID 114410673) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-methylpentan-1-amine
PubChem CID114410673
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name2-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-methylpentan-1-amine
SMILESCC(C)CC(CN)CN1CC=CCC1
InChIInChI=1S/C12H24N2/c1-11(2)8-12(9-13)10-14-6-4-3-5-7-14/h3-4,11-12H,5-10,13H2,1-2H3
InChIKeyOLEWVQBYMQHDJE-UHFFFAOYSA-N
XLogP1.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.87
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-(3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine
CID 114410564
3-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 114413093
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-4-methylpentan-1-amine
CID 106587363
1-(2-ethylbutyl)-2,3,6,7-tetrahydroazepine
CID 145001252
[2-(3,6-dihydro-2H-pyridin-1-yl)-1-phosphonoethyl]phosphonic acid
CID 15390279
5-(3,6-dihydro-2H-pyridin-1-yl)pentan-2-amine
CID 114410622
4-methyl-2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pentan-1-amine
CID 114410768
6-(3,6-dihydro-2H-pyridin-1-yl)-3-ethylhexan-1-amine
CID 114410592
2-[6-methyl-2-[4-methyl-2-(2-methylpropyl)pentyl]-4-(2-methylpropyl)heptyl]propane-1,3-diamine
CID 176735461
3-(aminomethyl)-1-(3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
CID 114409154
[1-(3,6-dihydro-2H-pyridin-1-ylmethyl)cyclopropyl]methanamine
CID 114410624
2-(3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylacetamide
CID 130637291

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-methylpentan-1-amine?
The IUPAC name of 2-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-methylpentan-1-amine (CID 114410673) is 2-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-methylpentan-1-amine.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-methylpentan-1-amine?
The canonical SMILES for 2-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-methylpentan-1-amine is CC(C)CC(CN)CN1CC=CCC1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-methylpentan-1-amine?
The InChIKey is OLEWVQBYMQHDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-11(2)8-12(9-13)10-14-6-4-3-5-7-14/h3-4,11-12H,5-10,13H2,1-2H3.
What are the key properties of 2-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-methylpentan-1-amine?
2-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-methylpentan-1-amine has a molecular weight of 196.34 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-methylpentan-1-amine is sourced from PubChem (CID 114410673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).