N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentan-2-amine

C12H24N2 — CID 107886855

IUPACN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentan-2-amine
SMILESCCCC(C)NCCC1=CCNCC1
InChIInChI=1S/C12H24N2/c1-3-4-11(2)14-10-7-12-5-8-13-9-6-12/h5,11,13-14H,3-4,6-10H2,1-2H3
InChIKeyFBAAFOYHUZGSAM-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.07
Rot. Bonds6

About N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentan-2-amine

N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentan-2-amine (PubChem CID 107886855) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentan-2-amine.

Molecular Properties

Compound NameN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentan-2-amine
PubChem CID107886855
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentan-2-amine
SMILESCCCC(C)NCCC1=CCNCC1
InChIInChI=1S/C12H24N2/c1-3-4-11(2)14-10-7-12-5-8-13-9-6-12/h5,11,13-14H,3-4,6-10H2,1-2H3
InChIKeyFBAAFOYHUZGSAM-UHFFFAOYSA-N
XLogP2.07
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopenten-1-yl)ethyl]pentan-2-amine
CID 103904430
4-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentanamide
CID 107487391
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
CID 107486741
4-(2-methylpentoxymethyl)-1,2,3,6-tetrahydropyridine
CID 103283983
4-ethyl-1,2,3,6-tetrahydropyridine
CID 21473622
2-[2-(cyclohexen-1-yl)ethylamino]-N-pentan-2-ylpropanamide
CID 60719007
N,N-diethyl-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine
CID 15289267
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-methoxybutan-2-amine
CID 115763581
2,4,6-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzenesulfonamide
CID 107487871
(E)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]but-2-enamide
CID 107486630
2-[2-(cyclopenten-1-yl)ethylamino]-N-pentan-2-ylacetamide
CID 114153921
5,6-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,2,4-triazin-3-amine
CID 107489073

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentan-2-amine?
The IUPAC name of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentan-2-amine (CID 107886855) is N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentan-2-amine.
What is the SMILES notation for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentan-2-amine?
The canonical SMILES for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentan-2-amine is CCCC(C)NCCC1=CCNCC1.
What is the InChIKey of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentan-2-amine?
The InChIKey is FBAAFOYHUZGSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-3-4-11(2)14-10-7-12-5-8-13-9-6-12/h5,11,13-14H,3-4,6-10H2,1-2H3.
What are the key properties of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentan-2-amine?
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentan-2-amine has a molecular weight of 196.34 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentan-2-amine is sourced from PubChem (CID 107886855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).