N-methyl-1-pyridin-3-ylhept-6-en-3-amine

C13H20N2 — CID 105153411

IUPACN-methyl-1-pyridin-3-ylhept-6-en-3-amine
SMILESC=CCCC(CCc1cccnc1)NC
InChIInChI=1S/C13H20N2/c1-3-4-7-13(14-2)9-8-12-6-5-10-15-11-12/h3,5-6,10-11,13-14H,1,4,7-9H2,2H3
InChIKeyLKTDQOLYYDVHES-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.57
Rot. Bonds7

About N-methyl-1-pyridin-3-ylhept-6-en-3-amine

N-methyl-1-pyridin-3-ylhept-6-en-3-amine (PubChem CID 105153411) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-methyl-1-pyridin-3-ylhept-6-en-3-amine.

Molecular Properties

Compound NameN-methyl-1-pyridin-3-ylhept-6-en-3-amine
PubChem CID105153411
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-methyl-1-pyridin-3-ylhept-6-en-3-amine
SMILESC=CCCC(CCc1cccnc1)NC
InChIInChI=1S/C13H20N2/c1-3-4-7-13(14-2)9-8-12-6-5-10-15-11-12/h3,5-6,10-11,13-14H,1,4,7-9H2,2H3
InChIKeyLKTDQOLYYDVHES-UHFFFAOYSA-N
XLogP2.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.57
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-methyl-6-phenyl-1-pyridin-3-ylhexan-3-amine
CID 105139816
N-(pyridin-3-ylmethyl)oct-7-en-4-amine
CID 115704900
(3S)-1-pyridin-3-ylhex-5-en-3-ol
CID 124576146
1-(2-bromophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine
CID 105087512
N-methyl-1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-amine
CID 105154860
N-ethyl-1-phenyl-5-pyridin-3-ylpentan-3-amine
CID 105094322
1-(3-bromo-4-fluorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine
CID 105111510
1-(4-bromo-2-chlorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine
CID 105181723
(6-methyl-1-pyridin-3-ylheptan-3-yl)hydrazine
CID 105294256
N-methyl-4-(1-methylpyrazol-4-yl)-1-pyridin-3-ylbutan-2-amine
CID 103009789
N-propyl-5-pyridin-3-ylpent-1-en-3-amine
CID 105161313
N-methyl-1-pyridin-3-ylbutan-2-amine
CID 62552734

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyridin-3-ylhept-6-en-3-amine?
The IUPAC name of N-methyl-1-pyridin-3-ylhept-6-en-3-amine (CID 105153411) is N-methyl-1-pyridin-3-ylhept-6-en-3-amine.
What is the SMILES notation for N-methyl-1-pyridin-3-ylhept-6-en-3-amine?
The canonical SMILES for N-methyl-1-pyridin-3-ylhept-6-en-3-amine is C=CCCC(CCc1cccnc1)NC.
What is the InChIKey of N-methyl-1-pyridin-3-ylhept-6-en-3-amine?
The InChIKey is LKTDQOLYYDVHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-3-4-7-13(14-2)9-8-12-6-5-10-15-11-12/h3,5-6,10-11,13-14H,1,4,7-9H2,2H3.
What are the key properties of N-methyl-1-pyridin-3-ylhept-6-en-3-amine?
N-methyl-1-pyridin-3-ylhept-6-en-3-amine has a molecular weight of 204.32 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyridin-3-ylhept-6-en-3-amine is sourced from PubChem (CID 105153411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).