[2-(aminomethyl)-4,5-dimethylcyclohexa-1,4-dien-1-yl]methanamine

C10H18N2 — CID 15278039

IUPAC[2-(aminomethyl)-4,5-dimethylcyclohexa-1,4-dien-1-yl]methanamine
SMILESCC1=C(C)CC(CN)=C(CN)C1
InChIInChI=1S/C10H18N2/c1-7-3-9(5-11)10(6-12)4-8(7)2/h3-6,11-12H2,1-2H3
InChIKeyMHDHXFQNEZAYRF-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.33
Rot. Bonds2

About [2-(aminomethyl)-4,5-dimethylcyclohexa-1,4-dien-1-yl]methanamine

[2-(aminomethyl)-4,5-dimethylcyclohexa-1,4-dien-1-yl]methanamine (PubChem CID 15278039) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is [2-(aminomethyl)-4,5-dimethylcyclohexa-1,4-dien-1-yl]methanamine.

Molecular Properties

Compound Name[2-(aminomethyl)-4,5-dimethylcyclohexa-1,4-dien-1-yl]methanamine
PubChem CID15278039
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name[2-(aminomethyl)-4,5-dimethylcyclohexa-1,4-dien-1-yl]methanamine
SMILESCC1=C(C)CC(CN)=C(CN)C1
InChIInChI=1S/C10H18N2/c1-7-3-9(5-11)10(6-12)4-8(7)2/h3-6,11-12H2,1-2H3
InChIKeyMHDHXFQNEZAYRF-UHFFFAOYSA-N
XLogP1.33
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4,5-dimethylcyclohexa-1,4-dien-1-yl]methanamine?
The IUPAC name of [2-(aminomethyl)-4,5-dimethylcyclohexa-1,4-dien-1-yl]methanamine (CID 15278039) is [2-(aminomethyl)-4,5-dimethylcyclohexa-1,4-dien-1-yl]methanamine.
What is the SMILES notation for [2-(aminomethyl)-4,5-dimethylcyclohexa-1,4-dien-1-yl]methanamine?
The canonical SMILES for [2-(aminomethyl)-4,5-dimethylcyclohexa-1,4-dien-1-yl]methanamine is CC1=C(C)CC(CN)=C(CN)C1.
What is the InChIKey of [2-(aminomethyl)-4,5-dimethylcyclohexa-1,4-dien-1-yl]methanamine?
The InChIKey is MHDHXFQNEZAYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-7-3-9(5-11)10(6-12)4-8(7)2/h3-6,11-12H2,1-2H3.
What are the key properties of [2-(aminomethyl)-4,5-dimethylcyclohexa-1,4-dien-1-yl]methanamine?
[2-(aminomethyl)-4,5-dimethylcyclohexa-1,4-dien-1-yl]methanamine has a molecular weight of 166.27 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4,5-dimethylcyclohexa-1,4-dien-1-yl]methanamine is sourced from PubChem (CID 15278039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).