N-methyl-1-pyridin-2-ylhept-6-yn-3-amine

C13H18N2 — CID 105149167

IUPACN-methyl-1-pyridin-2-ylhept-6-yn-3-amine
SMILESC#CCCC(CCc1ccccn1)NC
InChIInChI=1S/C13H18N2/c1-3-4-7-12(14-2)9-10-13-8-5-6-11-15-13/h1,5-6,8,11-12,14H,4,7,9-10H2,2H3
InChIKeyYYMPFPZIKOLHCZ-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.02
Rot. Bonds6

About N-methyl-1-pyridin-2-ylhept-6-yn-3-amine

N-methyl-1-pyridin-2-ylhept-6-yn-3-amine (PubChem CID 105149167) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-methyl-1-pyridin-2-ylhept-6-yn-3-amine.

Molecular Properties

Compound NameN-methyl-1-pyridin-2-ylhept-6-yn-3-amine
PubChem CID105149167
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-methyl-1-pyridin-2-ylhept-6-yn-3-amine
SMILESC#CCCC(CCc1ccccn1)NC
InChIInChI=1S/C13H18N2/c1-3-4-7-12(14-2)9-10-13-8-5-6-11-15-13/h1,5-6,8,11-12,14H,4,7,9-10H2,2H3
InChIKeyYYMPFPZIKOLHCZ-UHFFFAOYSA-N
XLogP2.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-pyridin-2-yloct-7-yn-3-amine
CID 105179646
1-pyridin-2-ylhept-6-yn-3-ylhydrazine
CID 105307905
1-cyclopentyl-N-methyl-5-pyridin-2-ylpentan-3-amine
CID 114193168
1-(2,6-difluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine
CID 105190641
1-(2-bromo-3-fluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine
CID 105172143
1-(5-ethyl-2-pyridinyl)-N-methyl-4-pyridin-2-ylbutan-2-amine
CID 105168957
N-propyl-1-pyridin-2-yloct-6-yn-3-amine
CID 105181373
N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine
CID 105160457
1-(2,5-dimethylpyrazol-3-yl)-N-methyl-4-pyridin-2-ylbutan-2-amine
CID 105158645
N-methyl-1-(2-methylphenyl)-3-pyridin-2-ylpropan-1-amine
CID 105094755
N,4-dimethyl-1-pyridin-2-ylheptan-3-amine
CID 107894010
(2S)-4-pyridin-2-ylbutan-2-amine
CID 22831528

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyridin-2-ylhept-6-yn-3-amine?
The IUPAC name of N-methyl-1-pyridin-2-ylhept-6-yn-3-amine (CID 105149167) is N-methyl-1-pyridin-2-ylhept-6-yn-3-amine.
What is the SMILES notation for N-methyl-1-pyridin-2-ylhept-6-yn-3-amine?
The canonical SMILES for N-methyl-1-pyridin-2-ylhept-6-yn-3-amine is C#CCCC(CCc1ccccn1)NC.
What is the InChIKey of N-methyl-1-pyridin-2-ylhept-6-yn-3-amine?
The InChIKey is YYMPFPZIKOLHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-3-4-7-12(14-2)9-10-13-8-5-6-11-15-13/h1,5-6,8,11-12,14H,4,7,9-10H2,2H3.
What are the key properties of N-methyl-1-pyridin-2-ylhept-6-yn-3-amine?
N-methyl-1-pyridin-2-ylhept-6-yn-3-amine has a molecular weight of 202.30 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyridin-2-ylhept-6-yn-3-amine is sourced from PubChem (CID 105149167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).