N,4,4-trimethyl-1-propan-2-yl-3,5,6,7-tetrahydroindol-2-imine

C14H24N2 — CID 155351240

IUPACN,4,4-trimethyl-1-propan-2-yl-3,5,6,7-tetrahydroindol-2-imine
SMILESC/N=C1\CC2=C(CCCC2(C)C)N1C(C)C
InChIInChI=1S/C14H24N2/c1-10(2)16-12-7-6-8-14(3,4)11(12)9-13(16)15-5/h10H,6-9H2,1-5H3/b15-13+
InChIKeyAEYRHIOQWGSLRT-FYWRMAATSA-N
MW220.36 g/mol
LogP3.59
Rot. Bonds1

About N,4,4-trimethyl-1-propan-2-yl-3,5,6,7-tetrahydroindol-2-imine

N,4,4-trimethyl-1-propan-2-yl-3,5,6,7-tetrahydroindol-2-imine (PubChem CID 155351240) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N,4,4-trimethyl-1-propan-2-yl-3,5,6,7-tetrahydroindol-2-imine.

Molecular Properties

Compound NameN,4,4-trimethyl-1-propan-2-yl-3,5,6,7-tetrahydroindol-2-imine
PubChem CID155351240
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN,4,4-trimethyl-1-propan-2-yl-3,5,6,7-tetrahydroindol-2-imine
SMILESC/N=C1\CC2=C(CCCC2(C)C)N1C(C)C
InChIInChI=1S/C14H24N2/c1-10(2)16-12-7-6-8-14(3,4)11(12)9-13(16)15-5/h10H,6-9H2,1-5H3/b15-13+
InChIKeyAEYRHIOQWGSLRT-FYWRMAATSA-N
XLogP3.59
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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,4,4-trimethyl-1-propan-2-yl-3,5,6,7-tetrahydroindol-2-imine?
The IUPAC name of N,4,4-trimethyl-1-propan-2-yl-3,5,6,7-tetrahydroindol-2-imine (CID 155351240) is N,4,4-trimethyl-1-propan-2-yl-3,5,6,7-tetrahydroindol-2-imine.
What is the SMILES notation for N,4,4-trimethyl-1-propan-2-yl-3,5,6,7-tetrahydroindol-2-imine?
The canonical SMILES for N,4,4-trimethyl-1-propan-2-yl-3,5,6,7-tetrahydroindol-2-imine is C/N=C1\CC2=C(CCCC2(C)C)N1C(C)C.
What is the InChIKey of N,4,4-trimethyl-1-propan-2-yl-3,5,6,7-tetrahydroindol-2-imine?
The InChIKey is AEYRHIOQWGSLRT-FYWRMAATSA-N. The full InChI is InChI=1S/C14H24N2/c1-10(2)16-12-7-6-8-14(3,4)11(12)9-13(16)15-5/h10H,6-9H2,1-5H3/b15-13+.
What are the key properties of N,4,4-trimethyl-1-propan-2-yl-3,5,6,7-tetrahydroindol-2-imine?
N,4,4-trimethyl-1-propan-2-yl-3,5,6,7-tetrahydroindol-2-imine has a molecular weight of 220.36 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,4-trimethyl-1-propan-2-yl-3,5,6,7-tetrahydroindol-2-imine is sourced from PubChem (CID 155351240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).