N-methyl-3-methylidene-1-(4-methyl-2-pyridinyl)pentan-1-amine

C13H20N2 — CID 66038280

IUPACN-methyl-3-methylidene-1-(4-methyl-2-pyridinyl)pentan-1-amine
SMILESC=C(CC)CC(NC)c1cc(C)ccn1
InChIInChI=1S/C13H20N2/c1-5-10(2)8-12(14-4)13-9-11(3)6-7-15-13/h6-7,9,12,14H,2,5,8H2,1,3-4H3
InChIKeyGCKSYSKRMGVQRJ-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.01
Rot. Bonds5

About N-methyl-3-methylidene-1-(4-methyl-2-pyridinyl)pentan-1-amine

N-methyl-3-methylidene-1-(4-methyl-2-pyridinyl)pentan-1-amine (PubChem CID 66038280) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-methyl-3-methylidene-1-(4-methyl-2-pyridinyl)pentan-1-amine.

Molecular Properties

Compound NameN-methyl-3-methylidene-1-(4-methyl-2-pyridinyl)pentan-1-amine
PubChem CID66038280
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-methyl-3-methylidene-1-(4-methyl-2-pyridinyl)pentan-1-amine
SMILESC=C(CC)CC(NC)c1cc(C)ccn1
InChIInChI=1S/C13H20N2/c1-5-10(2)8-12(14-4)13-9-11(3)6-7-15-13/h6-7,9,12,14H,2,5,8H2,1,3-4H3
InChIKeyGCKSYSKRMGVQRJ-UHFFFAOYSA-N
XLogP3.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.01
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

N-ethyl-3-methylidene-1-(4-methyl-2-pyridinyl)pentan-1-amine
CID 66038281
N-ethyl-3-methyl-1-(4-methyl-2-pyridinyl)but-3-en-1-amine
CID 79185322
N,5-dimethyl-1-(4-methyl-2-pyridinyl)hexan-1-amine
CID 83161254
2-(3,5-dimethylphenyl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 63840680
1-(2-bromo-5-methylphenyl)-N-methyl-3-methylidenepentan-1-amine
CID 105005820
N-methyl-3-methylidene-1-quinolin-2-ylpentan-1-amine
CID 66036857
2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 104802107
N-methyl-1-(4-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 63840960
2-(furan-3-yl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 83175534
2-(methylamino)-1-(4-methyl-2-pyridinyl)ethanol
CID 82597131
2-(5-bromo-3-pyridinyl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 113454942
1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylidenepentan-1-amine
CID 105005948

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylidene-1-(4-methyl-2-pyridinyl)pentan-1-amine?
The IUPAC name of N-methyl-3-methylidene-1-(4-methyl-2-pyridinyl)pentan-1-amine (CID 66038280) is N-methyl-3-methylidene-1-(4-methyl-2-pyridinyl)pentan-1-amine.
What is the SMILES notation for N-methyl-3-methylidene-1-(4-methyl-2-pyridinyl)pentan-1-amine?
The canonical SMILES for N-methyl-3-methylidene-1-(4-methyl-2-pyridinyl)pentan-1-amine is C=C(CC)CC(NC)c1cc(C)ccn1.
What is the InChIKey of N-methyl-3-methylidene-1-(4-methyl-2-pyridinyl)pentan-1-amine?
The InChIKey is GCKSYSKRMGVQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-5-10(2)8-12(14-4)13-9-11(3)6-7-15-13/h6-7,9,12,14H,2,5,8H2,1,3-4H3.
What are the key properties of N-methyl-3-methylidene-1-(4-methyl-2-pyridinyl)pentan-1-amine?
N-methyl-3-methylidene-1-(4-methyl-2-pyridinyl)pentan-1-amine has a molecular weight of 204.32 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylidene-1-(4-methyl-2-pyridinyl)pentan-1-amine is sourced from PubChem (CID 66038280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).