ethane;1-(4-ethynylphenyl)-N-methylmethanamine;propane

C15H25N — CID 143222901

IUPACethane;1-(4-ethynylphenyl)-N-methylmethanamine;propane
SMILESC#Cc1ccc(CNC)cc1.CC.CCC
InChIInChI=1S/C10H11N.C3H8.C2H6/c1-3-9-4-6-10(7-5-9)8-11-2;1-3-2;1-2/h1,4-7,11H,8H2,2H3;3H2,1-2H3;1-2H3
InChIKeyIWUAAOXTQLTRPA-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.83
Rot. Bonds2

About ethane;1-(4-ethynylphenyl)-N-methylmethanamine;propane

ethane;1-(4-ethynylphenyl)-N-methylmethanamine;propane (PubChem CID 143222901) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is ethane;1-(4-ethynylphenyl)-N-methylmethanamine;propane.

Molecular Properties

Compound Nameethane;1-(4-ethynylphenyl)-N-methylmethanamine;propane
PubChem CID143222901
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Nameethane;1-(4-ethynylphenyl)-N-methylmethanamine;propane
SMILESC#Cc1ccc(CNC)cc1.CC.CCC
InChIInChI=1S/C10H11N.C3H8.C2H6/c1-3-9-4-6-10(7-5-9)8-11-2;1-3-2;1-2/h1,4-7,11H,8H2,2H3;3H2,1-2H3;1-2H3
InChIKeyIWUAAOXTQLTRPA-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;N-methyl-1-(4-methylphenyl)methanamine;propane
CID 168988049
ethane;N-methyl-1-(4-propylphenyl)methanamine
CID 176699852
N-methyl-1-(4-prop-2-ynoxyphenyl)methanamine
CID 60809338
1-(4-ethynylphenyl)-N-[(4-fluorophenyl)methyl]methanamine
CID 141427580
N-methyl-1-(4-propylphenyl)methanamine
CID 20666221
N-[(4-ethynylphenyl)methyl]aniline
CID 102397569
1-(4-ethynylphenyl)-N,2-dimethylpropan-2-amine
CID 163242484
ethane;N-methyl-2-[4-(methylaminomethyl)phenyl]ethanamine
CID 145117697
1-ethynyl-4-[(sulfinatoamino)methyl]benzene
CID 90282258
1-(ethoxymethyl)-4-ethynylbenzene
CID 86643750
(4-ethynylphenyl)methyl-trimethylazanium
CID 59746066
N-[(4-ethynylphenyl)methyl]-2-phenylethanamine
CID 87605259

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-ethynylphenyl)-N-methylmethanamine;propane?
The IUPAC name of ethane;1-(4-ethynylphenyl)-N-methylmethanamine;propane (CID 143222901) is ethane;1-(4-ethynylphenyl)-N-methylmethanamine;propane.
What is the SMILES notation for ethane;1-(4-ethynylphenyl)-N-methylmethanamine;propane?
The canonical SMILES for ethane;1-(4-ethynylphenyl)-N-methylmethanamine;propane is C#Cc1ccc(CNC)cc1.CC.CCC.
What is the InChIKey of ethane;1-(4-ethynylphenyl)-N-methylmethanamine;propane?
The InChIKey is IWUAAOXTQLTRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.C3H8.C2H6/c1-3-9-4-6-10(7-5-9)8-11-2;1-3-2;1-2/h1,4-7,11H,8H2,2H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(4-ethynylphenyl)-N-methylmethanamine;propane?
ethane;1-(4-ethynylphenyl)-N-methylmethanamine;propane has a molecular weight of 219.37 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-ethynylphenyl)-N-methylmethanamine;propane is sourced from PubChem (CID 143222901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).