N-ethyl-3-methylidene-1-(4-methyl-3-pyridinyl)pentan-1-amine

C14H22N2 — CID 114878376

IUPACN-ethyl-3-methylidene-1-(4-methyl-3-pyridinyl)pentan-1-amine
SMILESC=C(CC)CC(NCC)c1cnccc1C
InChIInChI=1S/C14H22N2/c1-5-11(3)9-14(16-6-2)13-10-15-8-7-12(13)4/h7-8,10,14,16H,3,5-6,9H2,1-2,4H3
InChIKeyMPEJXMKROVCSFV-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.40
Rot. Bonds6

About N-ethyl-3-methylidene-1-(4-methyl-3-pyridinyl)pentan-1-amine

N-ethyl-3-methylidene-1-(4-methyl-3-pyridinyl)pentan-1-amine (PubChem CID 114878376) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-ethyl-3-methylidene-1-(4-methyl-3-pyridinyl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methylidene-1-(4-methyl-3-pyridinyl)pentan-1-amine
PubChem CID114878376
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-ethyl-3-methylidene-1-(4-methyl-3-pyridinyl)pentan-1-amine
SMILESC=C(CC)CC(NCC)c1cnccc1C
InChIInChI=1S/C14H22N2/c1-5-11(3)9-14(16-6-2)13-10-15-8-7-12(13)4/h7-8,10,14,16H,3,5-6,9H2,1-2,4H3
InChIKeyMPEJXMKROVCSFV-UHFFFAOYSA-N
XLogP3.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.40
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

[3-methylidene-1-(3-methyl-4-pyridinyl)pentyl]hydrazine
CID 105261976
N-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine
CID 66272697
N-ethyl-1-(4-methyl-3-pyridinyl)-2-methylsulfanylethanamine
CID 66272071
N-ethyl-1-(4-methyl-3-pyridinyl)pentan-1-amine
CID 79405563
N-ethyl-1-(4-methyl-3-pyridinyl)-2-pyridin-2-ylethanamine
CID 66273129
N,3-dimethyl-1-(4-methyl-3-pyridinyl)but-3-en-1-amine
CID 114878157
N-ethyl-1-(4-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine
CID 105164345
2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 66273352
N-ethyl-3-methylidene-1-(4-methyl-2-pyridinyl)pentan-1-amine
CID 66038281
2-(4-bromophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 66274181
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 114878334
N-ethyl-3-methylidene-1-(2-methylpyrazol-3-yl)pentan-1-amine
CID 105163864

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methylidene-1-(4-methyl-3-pyridinyl)pentan-1-amine?
The IUPAC name of N-ethyl-3-methylidene-1-(4-methyl-3-pyridinyl)pentan-1-amine (CID 114878376) is N-ethyl-3-methylidene-1-(4-methyl-3-pyridinyl)pentan-1-amine.
What is the SMILES notation for N-ethyl-3-methylidene-1-(4-methyl-3-pyridinyl)pentan-1-amine?
The canonical SMILES for N-ethyl-3-methylidene-1-(4-methyl-3-pyridinyl)pentan-1-amine is C=C(CC)CC(NCC)c1cnccc1C.
What is the InChIKey of N-ethyl-3-methylidene-1-(4-methyl-3-pyridinyl)pentan-1-amine?
The InChIKey is MPEJXMKROVCSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-5-11(3)9-14(16-6-2)13-10-15-8-7-12(13)4/h7-8,10,14,16H,3,5-6,9H2,1-2,4H3.
What are the key properties of N-ethyl-3-methylidene-1-(4-methyl-3-pyridinyl)pentan-1-amine?
N-ethyl-3-methylidene-1-(4-methyl-3-pyridinyl)pentan-1-amine has a molecular weight of 218.34 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methylidene-1-(4-methyl-3-pyridinyl)pentan-1-amine is sourced from PubChem (CID 114878376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).