N-methyl-1-(6-prop-1-ynyl-3-pyridinyl)methanamine

C10H12N2 — CID 123647524

IUPACN-methyl-1-(6-prop-1-ynyl-3-pyridinyl)methanamine
SMILESCC#Cc1ccc(CNC)cn1
InChIInChI=1S/C10H12N2/c1-3-4-10-6-5-9(7-11-2)8-12-10/h5-6,8,11H,7H2,1-2H3
InChIKeyZMIBKRCRYJDCRT-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.17
Rot. Bonds2

About N-methyl-1-(6-prop-1-ynyl-3-pyridinyl)methanamine

N-methyl-1-(6-prop-1-ynyl-3-pyridinyl)methanamine (PubChem CID 123647524) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is N-methyl-1-(6-prop-1-ynyl-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(6-prop-1-ynyl-3-pyridinyl)methanamine
PubChem CID123647524
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC NameN-methyl-1-(6-prop-1-ynyl-3-pyridinyl)methanamine
SMILESCC#Cc1ccc(CNC)cn1
InChIInChI=1S/C10H12N2/c1-3-4-10-6-5-9(7-11-2)8-12-10/h5-6,8,11H,7H2,1-2H3
InChIKeyZMIBKRCRYJDCRT-UHFFFAOYSA-N
XLogP1.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.17
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-(6-fluoro-3-pyridinyl)-N-methylmethanamine;dihydrochloride
CID 162422933
N-methyl-1-(6-propyl-3-pyridinyl)methanamine
CID 142021922
1-[5-(methylaminomethyl)-2-pyridinyl]-1,2,4-triazole-3-carbonitrile
CID 80635415
N-methyl-5-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 62279559
2-hex-1-ynyl-5-[(6-hex-1-ynyl-3-pyridinyl)methyl]pyridine
CID 159060805
N-ethyl-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62280400
5-(methylaminomethyl)-N,N-dipropylpyridin-2-amine
CID 62284274
5-[(6-methyl-3-pyridinyl)methylamino]pyridine-2-carbonitrile
CID 79839878
N-methyl-1-(6-phenylsulfanyl-3-pyridinyl)methanamine
CID 79016211
N-butan-2-yl-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62281072
N-methyl-1-(6-pyridin-4-ylsulfanyl-3-pyridinyl)methanamine
CID 80650935
N-methyl-5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 62284014

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-prop-1-ynyl-3-pyridinyl)methanamine?
The IUPAC name of N-methyl-1-(6-prop-1-ynyl-3-pyridinyl)methanamine (CID 123647524) is N-methyl-1-(6-prop-1-ynyl-3-pyridinyl)methanamine.
What is the SMILES notation for N-methyl-1-(6-prop-1-ynyl-3-pyridinyl)methanamine?
The canonical SMILES for N-methyl-1-(6-prop-1-ynyl-3-pyridinyl)methanamine is CC#Cc1ccc(CNC)cn1.
What is the InChIKey of N-methyl-1-(6-prop-1-ynyl-3-pyridinyl)methanamine?
The InChIKey is ZMIBKRCRYJDCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-3-4-10-6-5-9(7-11-2)8-12-10/h5-6,8,11H,7H2,1-2H3.
What are the key properties of N-methyl-1-(6-prop-1-ynyl-3-pyridinyl)methanamine?
N-methyl-1-(6-prop-1-ynyl-3-pyridinyl)methanamine has a molecular weight of 160.22 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-prop-1-ynyl-3-pyridinyl)methanamine is sourced from PubChem (CID 123647524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).