N-[1,7-dimethyl-3-[(Z)-prop-1-enyl]indol-2-yl]methanimine

C14H16N2 — CID 163294308

IUPACN-[1,7-dimethyl-3-[(Z)-prop-1-enyl]indol-2-yl]methanimine
SMILESC=Nc1c(/C=C\C)c2cccc(C)c2n1C
InChIInChI=1S/C14H16N2/c1-5-7-12-11-9-6-8-10(2)13(11)16(4)14(12)15-3/h5-9H,3H2,1-2,4H3/b7-5-
InChIKeyGRGTWZCHBHZECL-ALCCZGGFSA-N
MW212.30 g/mol
LogP3.85
Rot. Bonds2

About N-[1,7-dimethyl-3-[(Z)-prop-1-enyl]indol-2-yl]methanimine

N-[1,7-dimethyl-3-[(Z)-prop-1-enyl]indol-2-yl]methanimine (PubChem CID 163294308) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is N-[1,7-dimethyl-3-[(Z)-prop-1-enyl]indol-2-yl]methanimine.

Molecular Properties

Compound NameN-[1,7-dimethyl-3-[(Z)-prop-1-enyl]indol-2-yl]methanimine
PubChem CID163294308
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC NameN-[1,7-dimethyl-3-[(Z)-prop-1-enyl]indol-2-yl]methanimine
SMILESC=Nc1c(/C=C\C)c2cccc(C)c2n1C
InChIInChI=1S/C14H16N2/c1-5-7-12-11-9-6-8-10(2)13(11)16(4)14(12)15-3/h5-9H,3H2,1-2,4H3/b7-5-
InChIKeyGRGTWZCHBHZECL-ALCCZGGFSA-N
XLogP3.85
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1,7-dimethyl-3-[(Z)-prop-1-enyl]indol-2-yl]methanimine?
The IUPAC name of N-[1,7-dimethyl-3-[(Z)-prop-1-enyl]indol-2-yl]methanimine (CID 163294308) is N-[1,7-dimethyl-3-[(Z)-prop-1-enyl]indol-2-yl]methanimine.
What is the SMILES notation for N-[1,7-dimethyl-3-[(Z)-prop-1-enyl]indol-2-yl]methanimine?
The canonical SMILES for N-[1,7-dimethyl-3-[(Z)-prop-1-enyl]indol-2-yl]methanimine is C=Nc1c(/C=C\C)c2cccc(C)c2n1C.
What is the InChIKey of N-[1,7-dimethyl-3-[(Z)-prop-1-enyl]indol-2-yl]methanimine?
The InChIKey is GRGTWZCHBHZECL-ALCCZGGFSA-N. The full InChI is InChI=1S/C14H16N2/c1-5-7-12-11-9-6-8-10(2)13(11)16(4)14(12)15-3/h5-9H,3H2,1-2,4H3/b7-5-.
What are the key properties of N-[1,7-dimethyl-3-[(Z)-prop-1-enyl]indol-2-yl]methanimine?
N-[1,7-dimethyl-3-[(Z)-prop-1-enyl]indol-2-yl]methanimine has a molecular weight of 212.30 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,7-dimethyl-3-[(Z)-prop-1-enyl]indol-2-yl]methanimine is sourced from PubChem (CID 163294308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).