N-(2-adamantyl)-1-(1H-indol-7-yl)methanimine

C19H22N2 — CID 23578969

IUPACN-(2-adamantyl)-1-(1H-indol-7-yl)methanimine
SMILESC(=N/C1C2CC3CC(C2)CC1C3)\c1cccc2cc[nH]c12
InChIInChI=1S/C19H22N2/c1-2-14-4-5-20-18(14)15(3-1)11-21-19-16-7-12-6-13(9-16)10-17(19)8-12/h1-5,11-13,16-17,19-20H,6-10H2/b21-11+
InChIKeyKRIITINKNKCSDM-SRZZPIQSSA-N
MW278.40 g/mol
LogP4.41
Rot. Bonds2

About N-(2-adamantyl)-1-(1H-indol-7-yl)methanimine

N-(2-adamantyl)-1-(1H-indol-7-yl)methanimine (PubChem CID 23578969) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(2-adamantyl)-1-(1H-indol-7-yl)methanimine.

Molecular Properties

Compound NameN-(2-adamantyl)-1-(1H-indol-7-yl)methanimine
PubChem CID23578969
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC NameN-(2-adamantyl)-1-(1H-indol-7-yl)methanimine
SMILESC(=N/C1C2CC3CC(C2)CC1C3)\c1cccc2cc[nH]c12
InChIInChI=1S/C19H22N2/c1-2-14-4-5-20-18(14)15(3-1)11-21-19-16-7-12-6-13(9-16)10-17(19)8-12/h1-5,11-13,16-17,19-20H,6-10H2/b21-11+
InChIKeyKRIITINKNKCSDM-SRZZPIQSSA-N
XLogP4.41
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.41
H-Bond Donors ≤ 51
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-(2-adamantyl)-1-(1H-indol-7-yl)methanimine?
The IUPAC name of N-(2-adamantyl)-1-(1H-indol-7-yl)methanimine (CID 23578969) is N-(2-adamantyl)-1-(1H-indol-7-yl)methanimine.
What is the SMILES notation for N-(2-adamantyl)-1-(1H-indol-7-yl)methanimine?
The canonical SMILES for N-(2-adamantyl)-1-(1H-indol-7-yl)methanimine is C(=N/C1C2CC3CC(C2)CC1C3)\c1cccc2cc[nH]c12.
What is the InChIKey of N-(2-adamantyl)-1-(1H-indol-7-yl)methanimine?
The InChIKey is KRIITINKNKCSDM-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H22N2/c1-2-14-4-5-20-18(14)15(3-1)11-21-19-16-7-12-6-13(9-16)10-17(19)8-12/h1-5,11-13,16-17,19-20H,6-10H2/b21-11+.
What are the key properties of N-(2-adamantyl)-1-(1H-indol-7-yl)methanimine?
N-(2-adamantyl)-1-(1H-indol-7-yl)methanimine has a molecular weight of 278.40 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-1-(1H-indol-7-yl)methanimine is sourced from PubChem (CID 23578969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).