N-methyl-1-(2-methyl-4-pyridinyl)hex-4-yn-1-amine

C13H18N2 — CID 106755836

IUPACN-methyl-1-(2-methyl-4-pyridinyl)hex-4-yn-1-amine
SMILESCC#CCCC(NC)c1ccnc(C)c1
InChIInChI=1S/C13H18N2/c1-4-5-6-7-13(14-3)12-8-9-15-11(2)10-12/h8-10,13-14H,6-7H2,1-3H3
InChIKeyCGSRYLKPCVZFCA-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.45
Rot. Bonds4

About N-methyl-1-(2-methyl-4-pyridinyl)hex-4-yn-1-amine

N-methyl-1-(2-methyl-4-pyridinyl)hex-4-yn-1-amine (PubChem CID 106755836) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-4-pyridinyl)hex-4-yn-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-4-pyridinyl)hex-4-yn-1-amine
PubChem CID106755836
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-methyl-1-(2-methyl-4-pyridinyl)hex-4-yn-1-amine
SMILESCC#CCCC(NC)c1ccnc(C)c1
InChIInChI=1S/C13H18N2/c1-4-5-6-7-13(14-3)12-8-9-15-11(2)10-12/h8-10,13-14H,6-7H2,1-3H3
InChIKeyCGSRYLKPCVZFCA-UHFFFAOYSA-N
XLogP2.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.45
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

1-(2-methyl-4-pyridinyl)hex-4-ynylhydrazine
CID 106756698
N-methyl-1-(3-methylphenyl)hex-4-yn-1-amine
CID 104804760
1-(3,4-dichlorophenyl)-N-methylhex-4-yn-1-amine
CID 104807089
N-methyl-1-(2-methyl-4-pyridinyl)-2-pyridin-4-ylethanamine
CID 106755506
N-methyl-1-(4-methyl-3-pyridinyl)hex-4-yn-1-amine
CID 114878134
N-methyl-1-(2-methyl-4-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 106755047
1-(2,6-dimethyl-3-pyridinyl)-N-methylhex-4-yn-1-amine
CID 105181422
1-(4-ethylphenyl)-N-methylhex-4-yn-1-amine
CID 104804645
1-(3-fluoro-4-methoxyphenyl)-N-methylhex-4-yn-1-amine
CID 105037077
N-methyl-1-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 106755782
1-(4-butoxyphenyl)-N-methylhex-4-yn-1-amine
CID 105181567
1-(3-bromo-2-pyridinyl)-N-methylhex-4-yn-1-amine
CID 104807472

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-4-pyridinyl)hex-4-yn-1-amine?
The IUPAC name of N-methyl-1-(2-methyl-4-pyridinyl)hex-4-yn-1-amine (CID 106755836) is N-methyl-1-(2-methyl-4-pyridinyl)hex-4-yn-1-amine.
What is the SMILES notation for N-methyl-1-(2-methyl-4-pyridinyl)hex-4-yn-1-amine?
The canonical SMILES for N-methyl-1-(2-methyl-4-pyridinyl)hex-4-yn-1-amine is CC#CCCC(NC)c1ccnc(C)c1.
What is the InChIKey of N-methyl-1-(2-methyl-4-pyridinyl)hex-4-yn-1-amine?
The InChIKey is CGSRYLKPCVZFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-4-5-6-7-13(14-3)12-8-9-15-11(2)10-12/h8-10,13-14H,6-7H2,1-3H3.
What are the key properties of N-methyl-1-(2-methyl-4-pyridinyl)hex-4-yn-1-amine?
N-methyl-1-(2-methyl-4-pyridinyl)hex-4-yn-1-amine has a molecular weight of 202.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-4-pyridinyl)hex-4-yn-1-amine is sourced from PubChem (CID 106755836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).