2-(6-methylheptan-2-yl)-3H-isoindol-1-imine

C16H24N2 — CID 60648772

IUPAC2-(6-methylheptan-2-yl)-3H-isoindol-1-imine
SMILES[H]/N=C1\c2ccccc2CN1C(C)CCCC(C)C
InChIInChI=1S/C16H24N2/c1-12(2)7-6-8-13(3)18-11-14-9-4-5-10-15(14)16(18)17/h4-5,9-10,12-13,17H,6-8,11H2,1-3H3/b17-16+
InChIKeyVLLVDMBEUQFKSS-WUKNDPDISA-N
MW244.38 g/mol
LogP4.04
Rot. Bonds5

About 2-(6-methylheptan-2-yl)-3H-isoindol-1-imine

2-(6-methylheptan-2-yl)-3H-isoindol-1-imine (PubChem CID 60648772) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(6-methylheptan-2-yl)-3H-isoindol-1-imine.

Molecular Properties

Compound Name2-(6-methylheptan-2-yl)-3H-isoindol-1-imine
PubChem CID60648772
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-(6-methylheptan-2-yl)-3H-isoindol-1-imine
SMILES[H]/N=C1\c2ccccc2CN1C(C)CCCC(C)C
InChIInChI=1S/C16H24N2/c1-12(2)7-6-8-13(3)18-11-14-9-4-5-10-15(14)16(18)17/h4-5,9-10,12-13,17H,6-8,11H2,1-3H3/b17-16+
InChIKeyVLLVDMBEUQFKSS-WUKNDPDISA-N
XLogP4.04
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.04
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

3-imino-1H-isoindol-2-amine
CID 13380975
2-butyl-3H-isoindol-1-imine;hydrobromide
CID 118268275
2-octadecyl-3H-isoindol-1-imine
CID 118268270
2-(3-methoxypropyl)-3H-isoindol-1-imine
CID 2978825
2-(5-methylhexyl)-3H-isoindol-1-one
CID 142016970
2-(2-bromophenyl)-3H-isoindol-1-imine;hydrobromide
CID 44667451
2-(1-propan-2-ylpyrazol-3-yl)-3H-isoindol-1-imine
CID 114251157
2-(cyclopentylmethyl)-3H-isoindol-1-imine
CID 43371148
2-(3-imino-1H-isoindol-2-yl)phenol
CID 4006101
N-[3-(3-imino-1H-isoindol-2-yl)propyl]-N-methylaniline
CID 43079589
2-(2-ethylcyclohexyl)-3H-isoindol-1-imine
CID 63534603
2-(2,3-dimethylphenyl)-3H-isoindol-1-imine
CID 29045255

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylheptan-2-yl)-3H-isoindol-1-imine?
The IUPAC name of 2-(6-methylheptan-2-yl)-3H-isoindol-1-imine (CID 60648772) is 2-(6-methylheptan-2-yl)-3H-isoindol-1-imine.
What is the SMILES notation for 2-(6-methylheptan-2-yl)-3H-isoindol-1-imine?
The canonical SMILES for 2-(6-methylheptan-2-yl)-3H-isoindol-1-imine is [H]/N=C1\c2ccccc2CN1C(C)CCCC(C)C.
What is the InChIKey of 2-(6-methylheptan-2-yl)-3H-isoindol-1-imine?
The InChIKey is VLLVDMBEUQFKSS-WUKNDPDISA-N. The full InChI is InChI=1S/C16H24N2/c1-12(2)7-6-8-13(3)18-11-14-9-4-5-10-15(14)16(18)17/h4-5,9-10,12-13,17H,6-8,11H2,1-3H3/b17-16+.
What are the key properties of 2-(6-methylheptan-2-yl)-3H-isoindol-1-imine?
2-(6-methylheptan-2-yl)-3H-isoindol-1-imine has a molecular weight of 244.38 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylheptan-2-yl)-3H-isoindol-1-imine is sourced from PubChem (CID 60648772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).