N-propyl-1-pyridin-4-ylhept-6-yn-3-amine

C15H22N2 — CID 105149151

IUPACN-propyl-1-pyridin-4-ylhept-6-yn-3-amine
SMILESC#CCCC(CCc1ccncc1)NCCC
InChIInChI=1S/C15H22N2/c1-3-5-6-15(17-11-4-2)8-7-14-9-12-16-13-10-14/h1,9-10,12-13,15,17H,4-8,11H2,2H3
InChIKeyTYMSHRJDIJNBHR-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.80
Rot. Bonds8

About N-propyl-1-pyridin-4-ylhept-6-yn-3-amine

N-propyl-1-pyridin-4-ylhept-6-yn-3-amine (PubChem CID 105149151) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is N-propyl-1-pyridin-4-ylhept-6-yn-3-amine.

Molecular Properties

Compound NameN-propyl-1-pyridin-4-ylhept-6-yn-3-amine
PubChem CID105149151
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC NameN-propyl-1-pyridin-4-ylhept-6-yn-3-amine
SMILESC#CCCC(CCc1ccncc1)NCCC
InChIInChI=1S/C15H22N2/c1-3-5-6-15(17-11-4-2)8-7-14-9-12-16-13-10-14/h1,9-10,12-13,15,17H,4-8,11H2,2H3
InChIKeyTYMSHRJDIJNBHR-UHFFFAOYSA-N
XLogP2.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.80
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-ethyl-1-pyridin-4-ylhex-5-yn-3-amine
CID 105077588
1-(1-methylimidazol-2-yl)-N-propyl-5-pyridin-4-ylpentan-3-amine
CID 105187730
N-ethyl-1-pyridin-4-yloct-6-yn-3-amine
CID 105181542
N-propyl-1-pyridin-3-yl-4-pyridin-4-ylbutan-2-amine
CID 105179991
1-(oxan-4-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine
CID 105138737
1-(2-methyltetrazol-5-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine
CID 107065461
N-ethyl-1-pyridin-4-ylpentan-3-amine
CID 105078896
N-propylhexadec-1-yn-5-amine
CID 115859157
N-propylundec-1-yn-5-amine
CID 115859385
N-propyldodec-1-yn-5-amine
CID 115859300
N-methyl-1,5-dipyridin-4-ylpentan-3-amine
CID 11253852
4-(1-methylpyrazol-4-yl)-N-propyl-1-pyridin-4-ylbutan-2-amine
CID 103009812

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-pyridin-4-ylhept-6-yn-3-amine?
The IUPAC name of N-propyl-1-pyridin-4-ylhept-6-yn-3-amine (CID 105149151) is N-propyl-1-pyridin-4-ylhept-6-yn-3-amine.
What is the SMILES notation for N-propyl-1-pyridin-4-ylhept-6-yn-3-amine?
The canonical SMILES for N-propyl-1-pyridin-4-ylhept-6-yn-3-amine is C#CCCC(CCc1ccncc1)NCCC.
What is the InChIKey of N-propyl-1-pyridin-4-ylhept-6-yn-3-amine?
The InChIKey is TYMSHRJDIJNBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-3-5-6-15(17-11-4-2)8-7-14-9-12-16-13-10-14/h1,9-10,12-13,15,17H,4-8,11H2,2H3.
What are the key properties of N-propyl-1-pyridin-4-ylhept-6-yn-3-amine?
N-propyl-1-pyridin-4-ylhept-6-yn-3-amine has a molecular weight of 230.36 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-pyridin-4-ylhept-6-yn-3-amine is sourced from PubChem (CID 105149151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).