N-methyl-1-pyridin-4-ylhex-4-yn-2-amine

C12H16N2 — CID 62551577

IUPACN-methyl-1-pyridin-4-ylhex-4-yn-2-amine
SMILESCC#CCC(Cc1ccncc1)NC
InChIInChI=1S/C12H16N2/c1-3-4-5-12(13-2)10-11-6-8-14-9-7-11/h6-9,12-13H,5,10H2,1-2H3
InChIKeyHCRLDOAAWRXLRE-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.63
Rot. Bonds4

About N-methyl-1-pyridin-4-ylhex-4-yn-2-amine

N-methyl-1-pyridin-4-ylhex-4-yn-2-amine (PubChem CID 62551577) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-methyl-1-pyridin-4-ylhex-4-yn-2-amine.

Molecular Properties

Compound NameN-methyl-1-pyridin-4-ylhex-4-yn-2-amine
PubChem CID62551577
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC NameN-methyl-1-pyridin-4-ylhex-4-yn-2-amine
SMILESCC#CCC(Cc1ccncc1)NC
InChIInChI=1S/C12H16N2/c1-3-4-5-12(13-2)10-11-6-8-14-9-7-11/h6-9,12-13H,5,10H2,1-2H3
InChIKeyHCRLDOAAWRXLRE-UHFFFAOYSA-N
XLogP1.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.63
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-phenylhex-4-yn-2-amine
CID 62310382
1-(4-chlorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine
CID 62553099
1-(4-fluorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine
CID 62553272
1-(3-bromophenyl)-N-methylhex-4-yn-2-amine
CID 62310795
N-methyl-1-propan-2-yloxy-3-pyridin-4-ylpropan-2-amine
CID 79573917
1-(3-methoxyphenyl)-N-methylhex-4-yn-2-amine
CID 62309396
N-methyl-1-pyridin-4-yldecan-2-amine
CID 62605644
1-(1,3-dioxolan-2-yl)-N-methyl-3-pyridin-4-ylpropan-2-amine
CID 103546894
N-methyl-1,5-dipyridin-4-ylpentan-3-amine
CID 11253852
1-pyridin-4-ylhept-5-yn-3-amine
CID 105112690
1-pyridin-4-ylhept-5-yn-2-amine
CID 104805272
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)hex-4-yn-2-amine
CID 62799510

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyridin-4-ylhex-4-yn-2-amine?
The IUPAC name of N-methyl-1-pyridin-4-ylhex-4-yn-2-amine (CID 62551577) is N-methyl-1-pyridin-4-ylhex-4-yn-2-amine.
What is the SMILES notation for N-methyl-1-pyridin-4-ylhex-4-yn-2-amine?
The canonical SMILES for N-methyl-1-pyridin-4-ylhex-4-yn-2-amine is CC#CCC(Cc1ccncc1)NC.
What is the InChIKey of N-methyl-1-pyridin-4-ylhex-4-yn-2-amine?
The InChIKey is HCRLDOAAWRXLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-3-4-5-12(13-2)10-11-6-8-14-9-7-11/h6-9,12-13H,5,10H2,1-2H3.
What are the key properties of N-methyl-1-pyridin-4-ylhex-4-yn-2-amine?
N-methyl-1-pyridin-4-ylhex-4-yn-2-amine has a molecular weight of 188.27 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyridin-4-ylhex-4-yn-2-amine is sourced from PubChem (CID 62551577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).