5-imino-2,2,4-trimethylcyclopentane-1-carbonitrile

C9H14N2 — CID 59281698

IUPAC5-imino-2,2,4-trimethylcyclopentane-1-carbonitrile
SMILES[H]/N=C1\C(C)CC(C)(C)C1C#N
InChIInChI=1S/C9H14N2/c1-6-4-9(2,3)7(5-10)8(6)11/h6-7,11H,4H2,1-3H3/b11-8+
InChIKeyNLWDOOJXNOSKOD-DHZHZOJOSA-N
MW150.22 g/mol
LogP2.21
Rot. Bonds

About 5-imino-2,2,4-trimethylcyclopentane-1-carbonitrile

5-imino-2,2,4-trimethylcyclopentane-1-carbonitrile (PubChem CID 59281698) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 5-imino-2,2,4-trimethylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name5-imino-2,2,4-trimethylcyclopentane-1-carbonitrile
PubChem CID59281698
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name5-imino-2,2,4-trimethylcyclopentane-1-carbonitrile
SMILES[H]/N=C1\C(C)CC(C)(C)C1C#N
InChIInChI=1S/C9H14N2/c1-6-4-9(2,3)7(5-10)8(6)11/h6-7,11H,4H2,1-3H3/b11-8+
InChIKeyNLWDOOJXNOSKOD-DHZHZOJOSA-N
XLogP2.21
TPSA47.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.21
H-Bond Donors ≤ 51
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 5-imino-2,2,4-trimethylcyclopentane-1-carbonitrile?
The IUPAC name of 5-imino-2,2,4-trimethylcyclopentane-1-carbonitrile (CID 59281698) is 5-imino-2,2,4-trimethylcyclopentane-1-carbonitrile.
What is the SMILES notation for 5-imino-2,2,4-trimethylcyclopentane-1-carbonitrile?
The canonical SMILES for 5-imino-2,2,4-trimethylcyclopentane-1-carbonitrile is [H]/N=C1\C(C)CC(C)(C)C1C#N.
What is the InChIKey of 5-imino-2,2,4-trimethylcyclopentane-1-carbonitrile?
The InChIKey is NLWDOOJXNOSKOD-DHZHZOJOSA-N. The full InChI is InChI=1S/C9H14N2/c1-6-4-9(2,3)7(5-10)8(6)11/h6-7,11H,4H2,1-3H3/b11-8+.
What are the key properties of 5-imino-2,2,4-trimethylcyclopentane-1-carbonitrile?
5-imino-2,2,4-trimethylcyclopentane-1-carbonitrile has a molecular weight of 150.22 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-2,2,4-trimethylcyclopentane-1-carbonitrile is sourced from PubChem (CID 59281698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).