N-ethyl-4-methylidene-1-pyridin-2-ylhexan-2-amine

C14H22N2 — CID 66044585

IUPACN-ethyl-4-methylidene-1-pyridin-2-ylhexan-2-amine
SMILESC=C(CC)CC(Cc1ccccn1)NCC
InChIInChI=1S/C14H22N2/c1-4-12(3)10-14(15-5-2)11-13-8-6-7-9-16-13/h6-9,14-15H,3-5,10-11H2,1-2H3
InChIKeyJNBTXCJCZBWGTA-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.96
Rot. Bonds7

About N-ethyl-4-methylidene-1-pyridin-2-ylhexan-2-amine

N-ethyl-4-methylidene-1-pyridin-2-ylhexan-2-amine (PubChem CID 66044585) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-ethyl-4-methylidene-1-pyridin-2-ylhexan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methylidene-1-pyridin-2-ylhexan-2-amine
PubChem CID66044585
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-ethyl-4-methylidene-1-pyridin-2-ylhexan-2-amine
SMILESC=C(CC)CC(Cc1ccccn1)NCC
InChIInChI=1S/C14H22N2/c1-4-12(3)10-14(15-5-2)11-13-8-6-7-9-16-13/h6-9,14-15H,3-5,10-11H2,1-2H3
InChIKeyJNBTXCJCZBWGTA-UHFFFAOYSA-N
XLogP2.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.96
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-(3,5-dimethylphenyl)-N-ethyl-3-pyridin-2-ylpropan-2-amine
CID 61028897
N-ethyl-1-(2-methoxyethoxy)-3-pyridin-2-ylpropan-2-amine
CID 114032870
N-ethyl-6-methyl-1-pyridin-2-ylhept-6-en-3-amine
CID 105182655
2-(ethylamino)-3-pyridin-2-ylpropanoic acid
CID 83698578
N-ethyl-5-methylidene-1-phenylheptan-3-amine
CID 66038507
(1S)-N-ethyl-1-phenyl-2-pyridin-2-ylethanamine
CID 129365604
1-(4-bromophenyl)sulfanyl-N-ethyl-3-pyridin-2-ylpropan-2-amine
CID 66055509
1-(3,5-dimethylphenyl)-N-ethyl-4-methylidenehexan-2-amine
CID 66036851
1-(2-bromo-4-fluorophenyl)-N-ethyl-3-pyridin-2-ylpropan-2-amine
CID 62600577
1-(4-bromo-2-fluorophenyl)-N-ethyl-3-pyridin-2-ylpropan-2-amine
CID 62600960
N-ethyl-1,1-dimethoxy-3-pyridin-2-ylpropan-2-amine
CID 79492661
1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methylidenehexan-2-amine
CID 66040411

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methylidene-1-pyridin-2-ylhexan-2-amine?
The IUPAC name of N-ethyl-4-methylidene-1-pyridin-2-ylhexan-2-amine (CID 66044585) is N-ethyl-4-methylidene-1-pyridin-2-ylhexan-2-amine.
What is the SMILES notation for N-ethyl-4-methylidene-1-pyridin-2-ylhexan-2-amine?
The canonical SMILES for N-ethyl-4-methylidene-1-pyridin-2-ylhexan-2-amine is C=C(CC)CC(Cc1ccccn1)NCC.
What is the InChIKey of N-ethyl-4-methylidene-1-pyridin-2-ylhexan-2-amine?
The InChIKey is JNBTXCJCZBWGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-4-12(3)10-14(15-5-2)11-13-8-6-7-9-16-13/h6-9,14-15H,3-5,10-11H2,1-2H3.
What are the key properties of N-ethyl-4-methylidene-1-pyridin-2-ylhexan-2-amine?
N-ethyl-4-methylidene-1-pyridin-2-ylhexan-2-amine has a molecular weight of 218.34 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methylidene-1-pyridin-2-ylhexan-2-amine is sourced from PubChem (CID 66044585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).