1-(1H-indol-2-yl)-N-propan-2-ylmethanimine;methane

C13H18N2 — CID 161223571

IUPAC1-(1H-indol-2-yl)-N-propan-2-ylmethanimine;methane
SMILESC.CC(C)/N=C/c1cc2ccccc2[nH]1
InChIInChI=1S/C12H14N2.CH4/c1-9(2)13-8-11-7-10-5-3-4-6-12(10)14-11;/h3-9,14H,1-2H3;1H4/b13-8+;
InChIKeyUXVGLYVAAPLENR-FNXZNAJJSA-N
MW202.30 g/mol
LogP3.63
Rot. Bonds2

About 1-(1H-indol-2-yl)-N-propan-2-ylmethanimine;methane

1-(1H-indol-2-yl)-N-propan-2-ylmethanimine;methane (PubChem CID 161223571) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(1H-indol-2-yl)-N-propan-2-ylmethanimine;methane.

Molecular Properties

Compound Name1-(1H-indol-2-yl)-N-propan-2-ylmethanimine;methane
PubChem CID161223571
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1-(1H-indol-2-yl)-N-propan-2-ylmethanimine;methane
SMILESC.CC(C)/N=C/c1cc2ccccc2[nH]1
InChIInChI=1S/C12H14N2.CH4/c1-9(2)13-8-11-7-10-5-3-4-6-12(10)14-11;/h3-9,14H,1-2H3;1H4/b13-8+;
InChIKeyUXVGLYVAAPLENR-FNXZNAJJSA-N
XLogP3.63
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(1H-indol-2-ylmethylideneamino)-N-methylmethanamine
CID 137238408
N-[(E)-1H-indol-2-ylmethylideneamino]-N-methylmethanamine
CID 136951952
2-(1H-indol-2-yl)-3-methylbutanenitrile
CID 15013805
(2R)-2-hydroxy-N-[(E)-1H-indol-2-ylmethylideneamino]-2-phenylacetamide
CID 135832723
(E)-3-(1H-indol-2-yl)-2-methylprop-2-enal
CID 142626231
2-propan-2-ylsulfonyl-1H-indole
CID 150324916
3-(1H-indol-2-ylmethylidene)indene-1,2-dione
CID 175834648
2-(1H-indol-2-yl)propanal
CID 88965178
ethane;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole
CID 143924426
1-naphthalen-1-yl-N-propan-2-ylmethanimine
CID 10352682
2-[(E)-dec-1-enyl]-1H-indole
CID 118043504
2-[2,2-bis(trifluoromethylsulfonyl)ethenyl]-1H-indole
CID 87352678

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-2-yl)-N-propan-2-ylmethanimine;methane?
The IUPAC name of 1-(1H-indol-2-yl)-N-propan-2-ylmethanimine;methane (CID 161223571) is 1-(1H-indol-2-yl)-N-propan-2-ylmethanimine;methane.
What is the SMILES notation for 1-(1H-indol-2-yl)-N-propan-2-ylmethanimine;methane?
The canonical SMILES for 1-(1H-indol-2-yl)-N-propan-2-ylmethanimine;methane is C.CC(C)/N=C/c1cc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-indol-2-yl)-N-propan-2-ylmethanimine;methane?
The InChIKey is UXVGLYVAAPLENR-FNXZNAJJSA-N. The full InChI is InChI=1S/C12H14N2.CH4/c1-9(2)13-8-11-7-10-5-3-4-6-12(10)14-11;/h3-9,14H,1-2H3;1H4/b13-8+;.
What are the key properties of 1-(1H-indol-2-yl)-N-propan-2-ylmethanimine;methane?
1-(1H-indol-2-yl)-N-propan-2-ylmethanimine;methane has a molecular weight of 202.30 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-2-yl)-N-propan-2-ylmethanimine;methane is sourced from PubChem (CID 161223571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).